Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768110004040/bk5092sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768110004040/bk5092Isup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768110004040/bk5092IIsup3.hkl | |
Portable Document Format (PDF) file https://doi.org/10.1107/S0108768110004040/bk5092sup4.pdf |
CCDC references: 775199; 775200
For both structures, data collection: KappaCCD Server Software (Nonius, 1997); cell refinement: DENZO-SMN (Otwinowski and Minor, 1997); data reduction: DENZO-SMN (Otwinowski and Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009), ORTEX (McArdle, 1995); software used to prepare material for publication: SHELXL97 and PREP8 (Ferguson, 1998).
C28H26FeO4 | F(000) = 1008 |
Mr = 482.34 | ? #Insert any comments here. |
Triclinic, P1 | Dx = 1.454 Mg m−3 |
Hall symbol: -p 1 | Melting point: 406 K |
a = 9.1028 (3) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 9.6826 (5) Å | Cell parameters from 41798 reflections |
c = 25.3805 (12) Å | θ = 2.6–27.5° |
α = 83.683 (2)° | µ = 0.72 mm−1 |
β = 82.200 (3)° | T = 150 K |
γ = 89.460 (3)° | Block, orange |
V = 2202.82 (17) Å3 | 0.30 × 0.26 × 0.24 mm |
Z = 4 |
Kappa-CCD diffractometer | 9803 independent reflections |
Radiation source: X-ray tube | 6524 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.059 |
φ, ω scans with κ offsets | θmax = 27.4°, θmin = 2.6° |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | h = −11→11 |
Tmin = 0.638, Tmax = 0.938 | k = −12→12 |
19022 measured reflections | l = −29→32 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.054 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.142 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0574P)2 + 1.0996P] where P = (Fo2 + 2Fc2)/3 |
9803 reflections | (Δ/σ)max = 0.001 |
599 parameters | Δρmax = 0.59 e Å−3 |
0 restraints | Δρmin = −0.81 e Å−3 |
x | y | z | Uiso*/Ueq | ||
Fe1 | 0.84493 (4) | 0.00988 (4) | 0.409177 (16) | 0.02778 (13) | |
C1A | 0.4449 (3) | −0.0212 (3) | 0.18070 (13) | 0.0336 (7) | |
O1A | 0.3285 (2) | 0.0353 (3) | 0.17455 (10) | 0.0465 (6) | |
O2A | 0.5268 (2) | −0.0845 (2) | 0.14213 (9) | 0.0386 (5) | |
C2A | 0.4592 (4) | −0.0952 (4) | 0.09390 (14) | 0.0451 (9) | |
C3A | 0.5758 (4) | −0.1509 (4) | 0.05351 (15) | 0.0548 (10) | |
C4A | 0.7924 (3) | 0.1822 (3) | 0.13216 (13) | 0.0345 (7) | |
O3A | 0.8637 (2) | 0.1327 (3) | 0.09508 (9) | 0.0447 (6) | |
O4A | 0.6619 (2) | 0.2466 (2) | 0.12887 (9) | 0.0408 (6) | |
C5A | 0.6105 (4) | 0.2630 (4) | 0.07670 (14) | 0.0453 (9) | |
C6A | 0.6718 (4) | 0.3952 (4) | 0.04494 (15) | 0.0562 (10) | |
C11A | 0.6680 (3) | −0.0835 (3) | 0.38354 (12) | 0.0310 (7) | |
C12A | 0.7721 (3) | −0.1851 (3) | 0.40030 (13) | 0.0336 (7) | |
C13A | 0.7875 (4) | −0.1735 (3) | 0.45488 (13) | 0.0375 (8) | |
C14A | 0.6928 (4) | −0.0646 (4) | 0.47194 (13) | 0.0386 (8) | |
C15A | 0.6208 (3) | −0.0084 (3) | 0.42865 (12) | 0.0337 (7) | |
C21A | 0.9510 (3) | 0.1392 (3) | 0.34537 (12) | 0.0277 (6) | |
C22A | 1.0516 (3) | 0.0397 (3) | 0.36607 (12) | 0.0299 (7) | |
C23A | 1.0562 (3) | 0.0561 (3) | 0.42081 (13) | 0.0360 (7) | |
C24A | 0.9572 (3) | 0.1651 (3) | 0.43478 (13) | 0.0350 (7) | |
C25A | 0.8911 (3) | 0.2158 (3) | 0.38870 (12) | 0.0330 (7) | |
C31A | 0.6168 (3) | −0.0625 (3) | 0.33096 (12) | 0.0287 (7) | |
C32A | 0.4928 (3) | 0.0195 (3) | 0.32244 (13) | 0.0336 (7) | |
C33A | 0.4405 (3) | 0.0335 (3) | 0.27363 (13) | 0.0346 (7) | |
C34A | 0.5103 (3) | −0.0327 (3) | 0.23110 (12) | 0.0308 (7) | |
C35A | 0.6361 (3) | −0.1123 (3) | 0.23856 (13) | 0.0316 (7) | |
C36A | 0.6888 (3) | −0.1253 (3) | 0.28750 (12) | 0.0314 (7) | |
C41A | 0.9122 (3) | 0.1554 (3) | 0.29065 (12) | 0.0271 (6) | |
C42A | 0.7884 (3) | 0.2314 (3) | 0.27784 (12) | 0.0311 (7) | |
C43A | 0.7495 (3) | 0.2428 (3) | 0.22672 (12) | 0.0314 (7) | |
C44A | 0.8351 (3) | 0.1785 (3) | 0.18676 (12) | 0.0305 (7) | |
C45A | 0.9608 (3) | 0.1051 (3) | 0.19864 (12) | 0.0321 (7) | |
C46A | 0.9983 (3) | 0.0934 (3) | 0.24991 (12) | 0.0301 (7) | |
Fe2 | 0.34538 (5) | 0.53479 (4) | 0.409408 (17) | 0.02833 (13) | |
C1B | −0.0534 (3) | 0.6795 (3) | 0.17885 (13) | 0.0359 (7) | |
O1B | −0.1699 (2) | 0.6275 (3) | 0.17297 (10) | 0.0490 (6) | |
O2B | 0.0314 (2) | 0.7585 (2) | 0.13973 (9) | 0.0401 (5) | |
C2B | −0.0300 (4) | 0.7909 (4) | 0.08973 (14) | 0.0448 (9) | |
C3B | 0.0910 (4) | 0.8581 (4) | 0.04959 (15) | 0.0542 (10) | |
C4B | 0.2901 (3) | 0.4870 (3) | 0.13475 (13) | 0.0341 (7) | |
O3B | 0.3586 (2) | 0.5549 (3) | 0.09636 (9) | 0.0439 (6) | |
O4B | 0.1620 (2) | 0.4215 (2) | 0.13311 (9) | 0.0417 (6) | |
C5B | 0.1073 (4) | 0.4287 (4) | 0.08209 (14) | 0.0470 (9) | |
C6B | 0.1741 (5) | 0.3169 (4) | 0.05040 (16) | 0.0581 (11) | |
C11B | 0.1656 (3) | 0.6395 (3) | 0.38239 (13) | 0.0319 (7) | |
C12B | 0.1200 (3) | 0.5414 (3) | 0.42822 (13) | 0.0338 (7) | |
C13B | 0.1896 (3) | 0.5761 (4) | 0.47148 (13) | 0.0382 (8) | |
C14B | 0.2819 (4) | 0.6948 (4) | 0.45348 (14) | 0.0416 (8) | |
C15B | 0.2677 (3) | 0.7339 (3) | 0.39874 (13) | 0.0341 (7) | |
C21B | 0.4546 (3) | 0.4364 (3) | 0.34707 (12) | 0.0285 (7) | |
C22B | 0.3986 (3) | 0.3389 (3) | 0.39187 (12) | 0.0319 (7) | |
C23B | 0.4639 (4) | 0.3688 (3) | 0.43721 (13) | 0.0367 (7) | |
C24B | 0.5587 (3) | 0.4872 (3) | 0.42151 (12) | 0.0338 (7) | |
C25B | 0.5523 (3) | 0.5278 (3) | 0.36661 (12) | 0.0305 (7) | |
C31B | 0.1157 (3) | 0.6448 (3) | 0.32979 (12) | 0.0295 (7) | |
C32B | 0.1865 (3) | 0.7297 (3) | 0.28561 (12) | 0.0312 (7) | |
C33B | 0.1350 (3) | 0.7407 (3) | 0.23673 (13) | 0.0330 (7) | |
C34B | 0.0108 (3) | 0.6651 (3) | 0.22972 (13) | 0.0315 (7) | |
C35B | −0.0594 (3) | 0.5777 (3) | 0.27279 (13) | 0.0345 (7) | |
C36B | −0.0081 (3) | 0.5676 (3) | 0.32205 (13) | 0.0338 (7) | |
C41B | 0.4157 (3) | 0.4449 (3) | 0.29270 (12) | 0.0271 (6) | |
C42B | 0.5000 (3) | 0.5258 (3) | 0.25020 (12) | 0.0304 (7) | |
C43B | 0.4603 (3) | 0.5363 (3) | 0.19919 (12) | 0.0317 (7) | |
C44B | 0.3350 (3) | 0.4677 (3) | 0.18899 (12) | 0.0302 (7) | |
C45B | 0.2515 (3) | 0.3855 (3) | 0.23091 (12) | 0.0320 (7) | |
C46B | 0.2907 (3) | 0.3747 (3) | 0.28152 (13) | 0.0319 (7) | |
H2A1 | 0.4253 | −0.0028 | 0.0797 | 0.054* | |
H2A2 | 0.3726 | −0.1588 | 0.1019 | 0.054* | |
H3A1 | 0.6582 | −0.0844 | 0.0443 | 0.082* | |
H3A2 | 0.5323 | −0.1647 | 0.0212 | 0.082* | |
H3A3 | 0.6125 | −0.2398 | 0.0688 | 0.082* | |
H5A1 | 0.5008 | 0.2654 | 0.0814 | 0.054* | |
H5A2 | 0.6431 | 0.1827 | 0.0571 | 0.054* | |
H6A1 | 0.6434 | 0.4741 | 0.0652 | 0.084* | |
H6A2 | 0.6316 | 0.4081 | 0.0108 | 0.084* | |
H6A3 | 0.7801 | 0.3897 | 0.0381 | 0.084* | |
H12A | 0.8226 | −0.2495 | 0.3787 | 0.040* | |
H13A | 0.8496 | −0.2285 | 0.4759 | 0.045* | |
H14A | 0.6801 | −0.0346 | 0.5067 | 0.046* | |
H15A | 0.5525 | 0.0664 | 0.4292 | 0.040* | |
H22A | 1.1063 | −0.0264 | 0.3465 | 0.036* | |
H23A | 1.1148 | 0.0037 | 0.4440 | 0.043* | |
H24A | 0.9384 | 0.1982 | 0.4689 | 0.042* | |
H25A | 0.8198 | 0.2879 | 0.3869 | 0.040* | |
H32A | 0.4439 | 0.0663 | 0.3508 | 0.040* | |
H33A | 0.3557 | 0.0891 | 0.2690 | 0.042* | |
H35A | 0.6857 | −0.1577 | 0.2099 | 0.038* | |
H36A | 0.7758 | −0.1780 | 0.2917 | 0.038* | |
H42A | 0.7297 | 0.2761 | 0.3048 | 0.037* | |
H43A | 0.6644 | 0.2945 | 0.2189 | 0.038* | |
H45A | 1.0211 | 0.0628 | 0.1714 | 0.038* | |
H46A | 1.0840 | 0.0425 | 0.2576 | 0.036* | |
H2B1 | −0.1150 | 0.8547 | 0.0948 | 0.054* | |
H2B2 | −0.0646 | 0.7049 | 0.0774 | 0.054* | |
H3B1 | 0.1228 | 0.9441 | 0.0619 | 0.081* | |
H3B2 | 0.0543 | 0.8796 | 0.0151 | 0.081* | |
H3B3 | 0.1753 | 0.7946 | 0.0455 | 0.081* | |
H5B1 | 0.1320 | 0.5206 | 0.0618 | 0.056* | |
H5B2 | −0.0020 | 0.4182 | 0.0879 | 0.056* | |
H6B1 | 0.2808 | 0.3341 | 0.0407 | 0.087* | |
H6B2 | 0.1274 | 0.3168 | 0.0178 | 0.087* | |
H6B3 | 0.1580 | 0.2265 | 0.0719 | 0.087* | |
H12B | 0.0537 | 0.4655 | 0.4293 | 0.041* | |
H13B | 0.1772 | 0.5285 | 0.5066 | 0.046* | |
H14B | 0.3420 | 0.7398 | 0.4743 | 0.050* | |
H15B | 0.3173 | 0.8096 | 0.3766 | 0.041* | |
H22B | 0.3294 | 0.2663 | 0.3913 | 0.038* | |
H23B | 0.4474 | 0.3188 | 0.4719 | 0.044* | |
H24B | 0.6156 | 0.5307 | 0.4438 | 0.041* | |
H25B | 0.6048 | 0.6040 | 0.3459 | 0.037* | |
H32B | 0.2721 | 0.7811 | 0.2894 | 0.037* | |
H33B | 0.1845 | 0.8003 | 0.2076 | 0.040* | |
H35B | −0.1432 | 0.5245 | 0.2684 | 0.041* | |
H36B | −0.0575 | 0.5076 | 0.3511 | 0.041* | |
H42B | 0.5852 | 0.5740 | 0.2565 | 0.037* | |
H43B | 0.5192 | 0.5908 | 0.1708 | 0.038* | |
H45B | 0.1670 | 0.3367 | 0.2243 | 0.038* | |
H46B | 0.2323 | 0.3188 | 0.3096 | 0.038* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1 | 0.0318 (2) | 0.0230 (2) | 0.0277 (2) | −0.00055 (17) | −0.00045 (18) | −0.00320 (18) |
C1A | 0.0327 (17) | 0.0274 (17) | 0.0401 (19) | −0.0037 (13) | −0.0015 (14) | −0.0043 (14) |
O1A | 0.0328 (13) | 0.0566 (17) | 0.0514 (16) | 0.0104 (11) | −0.0103 (11) | −0.0073 (12) |
O2A | 0.0391 (13) | 0.0420 (14) | 0.0381 (13) | 0.0033 (10) | −0.0125 (10) | −0.0105 (10) |
C2A | 0.044 (2) | 0.051 (2) | 0.044 (2) | 0.0007 (16) | −0.0185 (16) | −0.0084 (17) |
C3A | 0.065 (3) | 0.061 (3) | 0.043 (2) | 0.006 (2) | −0.0162 (19) | −0.0141 (19) |
C4A | 0.0336 (17) | 0.0299 (18) | 0.0388 (19) | −0.0001 (13) | −0.0041 (14) | 0.0004 (14) |
O3A | 0.0427 (14) | 0.0577 (17) | 0.0349 (13) | 0.0105 (11) | −0.0071 (11) | −0.0090 (12) |
O4A | 0.0397 (13) | 0.0457 (15) | 0.0382 (13) | 0.0105 (10) | −0.0109 (10) | −0.0030 (11) |
C5A | 0.044 (2) | 0.053 (2) | 0.041 (2) | 0.0033 (16) | −0.0166 (16) | −0.0022 (17) |
C6A | 0.066 (3) | 0.059 (3) | 0.044 (2) | 0.010 (2) | −0.0163 (19) | 0.0033 (19) |
C11A | 0.0312 (16) | 0.0247 (16) | 0.0359 (18) | −0.0033 (12) | 0.0002 (13) | −0.0036 (13) |
C12A | 0.0392 (18) | 0.0217 (16) | 0.0398 (19) | −0.0054 (13) | −0.0050 (14) | −0.0030 (13) |
C13A | 0.0446 (19) | 0.0273 (18) | 0.0393 (19) | −0.0067 (14) | −0.0073 (15) | 0.0051 (14) |
C14A | 0.0427 (19) | 0.043 (2) | 0.0275 (17) | −0.0111 (15) | 0.0052 (14) | −0.0034 (14) |
C15A | 0.0309 (16) | 0.0341 (18) | 0.0345 (18) | 0.0008 (13) | 0.0031 (13) | −0.0055 (14) |
C21A | 0.0300 (16) | 0.0228 (16) | 0.0289 (16) | −0.0037 (12) | 0.0004 (12) | −0.0015 (12) |
C22A | 0.0289 (16) | 0.0272 (17) | 0.0326 (17) | −0.0002 (12) | −0.0020 (13) | −0.0019 (13) |
C23A | 0.0377 (18) | 0.0362 (19) | 0.0339 (18) | −0.0037 (14) | −0.0067 (14) | −0.0004 (14) |
C24A | 0.0432 (18) | 0.0307 (18) | 0.0324 (18) | −0.0090 (14) | −0.0046 (14) | −0.0090 (14) |
C25A | 0.0407 (18) | 0.0199 (16) | 0.0366 (18) | −0.0027 (13) | 0.0009 (14) | −0.0023 (13) |
C31A | 0.0306 (16) | 0.0184 (15) | 0.0361 (17) | −0.0037 (11) | −0.0004 (13) | −0.0035 (12) |
C32A | 0.0306 (16) | 0.0294 (18) | 0.0407 (19) | 0.0010 (13) | −0.0002 (14) | −0.0091 (14) |
C33A | 0.0266 (16) | 0.0271 (17) | 0.050 (2) | 0.0019 (12) | −0.0029 (14) | −0.0082 (14) |
C34A | 0.0300 (16) | 0.0227 (16) | 0.0391 (18) | −0.0052 (12) | −0.0034 (13) | −0.0018 (13) |
C35A | 0.0334 (16) | 0.0240 (16) | 0.0372 (18) | 0.0028 (12) | −0.0027 (13) | −0.0054 (13) |
C36A | 0.0317 (16) | 0.0230 (16) | 0.0394 (19) | 0.0026 (12) | −0.0032 (14) | −0.0053 (13) |
C41A | 0.0267 (15) | 0.0211 (15) | 0.0318 (16) | −0.0013 (11) | 0.0001 (12) | −0.0006 (12) |
C42A | 0.0348 (17) | 0.0213 (16) | 0.0357 (18) | 0.0022 (12) | −0.0003 (13) | −0.0016 (13) |
C43A | 0.0300 (16) | 0.0237 (16) | 0.0388 (18) | 0.0039 (12) | −0.0028 (13) | 0.0012 (13) |
C44A | 0.0298 (16) | 0.0283 (17) | 0.0316 (17) | −0.0023 (12) | −0.0009 (13) | 0.0009 (13) |
C45A | 0.0274 (16) | 0.0316 (18) | 0.0351 (18) | 0.0020 (12) | 0.0024 (13) | −0.0030 (13) |
C46A | 0.0275 (15) | 0.0280 (17) | 0.0335 (17) | −0.0005 (12) | −0.0016 (13) | −0.0006 (13) |
Fe2 | 0.0319 (2) | 0.0232 (2) | 0.0289 (2) | 0.00311 (17) | −0.00033 (18) | −0.00337 (18) |
C1B | 0.0318 (17) | 0.0310 (18) | 0.047 (2) | 0.0085 (13) | −0.0059 (15) | −0.0114 (15) |
O1B | 0.0345 (13) | 0.0568 (17) | 0.0584 (17) | −0.0027 (11) | −0.0119 (11) | −0.0106 (13) |
O2B | 0.0402 (13) | 0.0435 (14) | 0.0388 (13) | 0.0014 (10) | −0.0144 (10) | −0.0029 (11) |
C2B | 0.049 (2) | 0.049 (2) | 0.042 (2) | 0.0061 (16) | −0.0218 (17) | −0.0079 (17) |
C3B | 0.066 (3) | 0.055 (3) | 0.044 (2) | −0.0015 (19) | −0.0206 (19) | −0.0010 (18) |
C4B | 0.0337 (17) | 0.0309 (18) | 0.0388 (19) | 0.0005 (13) | −0.0059 (14) | −0.0070 (14) |
O3B | 0.0429 (14) | 0.0538 (16) | 0.0353 (13) | −0.0083 (11) | −0.0066 (11) | −0.0038 (11) |
O4B | 0.0419 (13) | 0.0465 (15) | 0.0389 (14) | −0.0077 (10) | −0.0103 (10) | −0.0081 (11) |
C5B | 0.046 (2) | 0.054 (2) | 0.044 (2) | −0.0042 (17) | −0.0159 (17) | −0.0076 (18) |
C6B | 0.070 (3) | 0.061 (3) | 0.049 (2) | −0.005 (2) | −0.019 (2) | −0.017 (2) |
C11B | 0.0301 (16) | 0.0256 (17) | 0.0386 (18) | 0.0055 (12) | 0.0003 (13) | −0.0046 (13) |
C12B | 0.0305 (16) | 0.0308 (18) | 0.0373 (18) | 0.0014 (13) | 0.0050 (14) | −0.0023 (14) |
C13B | 0.0398 (19) | 0.040 (2) | 0.0310 (18) | 0.0097 (15) | 0.0079 (14) | −0.0040 (14) |
C14B | 0.046 (2) | 0.040 (2) | 0.042 (2) | 0.0125 (15) | −0.0061 (16) | −0.0159 (16) |
C15B | 0.0364 (17) | 0.0231 (16) | 0.043 (2) | 0.0073 (13) | −0.0029 (14) | −0.0065 (14) |
C21B | 0.0296 (16) | 0.0215 (16) | 0.0336 (17) | 0.0055 (12) | 0.0003 (13) | −0.0061 (12) |
C22B | 0.0387 (17) | 0.0219 (16) | 0.0344 (18) | 0.0039 (12) | −0.0014 (14) | −0.0049 (13) |
C23B | 0.0461 (19) | 0.0295 (18) | 0.0329 (18) | 0.0092 (14) | −0.0022 (15) | −0.0012 (14) |
C24B | 0.0343 (17) | 0.0370 (19) | 0.0311 (18) | 0.0043 (13) | −0.0064 (13) | −0.0065 (14) |
C25B | 0.0288 (16) | 0.0311 (17) | 0.0313 (17) | 0.0022 (12) | −0.0025 (13) | −0.0036 (13) |
C31B | 0.0300 (16) | 0.0206 (15) | 0.0370 (18) | 0.0032 (12) | −0.0002 (13) | −0.0053 (13) |
C32B | 0.0308 (16) | 0.0256 (17) | 0.0375 (18) | −0.0002 (12) | −0.0039 (13) | −0.0050 (13) |
C33B | 0.0296 (16) | 0.0287 (17) | 0.0399 (19) | 0.0001 (12) | 0.0001 (14) | −0.0061 (14) |
C34B | 0.0284 (16) | 0.0285 (17) | 0.0387 (18) | 0.0075 (12) | −0.0049 (13) | −0.0084 (14) |
C35B | 0.0290 (16) | 0.0265 (17) | 0.048 (2) | 0.0001 (12) | −0.0047 (14) | −0.0053 (14) |
C36B | 0.0309 (16) | 0.0231 (16) | 0.045 (2) | 0.0016 (12) | 0.0013 (14) | −0.0019 (14) |
C41B | 0.0321 (16) | 0.0195 (15) | 0.0300 (16) | 0.0054 (11) | −0.0008 (13) | −0.0080 (12) |
C42B | 0.0284 (16) | 0.0275 (17) | 0.0363 (18) | 0.0000 (12) | −0.0031 (13) | −0.0090 (13) |
C43B | 0.0311 (16) | 0.0305 (17) | 0.0317 (17) | 0.0014 (13) | 0.0005 (13) | −0.0019 (13) |
C44B | 0.0301 (16) | 0.0275 (17) | 0.0342 (17) | 0.0024 (12) | −0.0024 (13) | −0.0120 (13) |
C45B | 0.0338 (17) | 0.0256 (17) | 0.0379 (19) | −0.0021 (13) | −0.0045 (14) | −0.0086 (13) |
C46B | 0.0385 (17) | 0.0200 (16) | 0.0363 (18) | −0.0017 (12) | 0.0003 (14) | −0.0055 (13) |
Fe1—C11A | 2.068 (3) | C36A—H36A | 0.9500 |
Fe1—C12A | 2.052 (3) | C42A—H42A | 0.9500 |
Fe1—C13A | 2.043 (3) | C43A—H43A | 0.9500 |
Fe1—C14A | 2.035 (3) | C45A—H45A | 0.9500 |
Fe1—C15A | 2.038 (3) | C46A—H46A | 0.9500 |
Fe1—C21A | 2.067 (3) | Fe2—C11B | 2.072 (3) |
Fe1—C22A | 2.050 (3) | Fe2—C12B | 2.045 (3) |
Fe1—C23A | 2.046 (3) | Fe2—C13B | 2.043 (3) |
Fe1—C24A | 2.036 (3) | Fe2—C14B | 2.044 (3) |
Fe1—C25A | 2.038 (3) | Fe2—C15B | 2.050 (3) |
C1A—O1A | 1.209 (4) | Fe2—C21B | 2.070 (3) |
C1A—O2A | 1.347 (4) | Fe2—C22B | 2.035 (3) |
C1A—C34A | 1.475 (4) | Fe2—C23B | 2.042 (3) |
O2A—C2A | 1.457 (4) | Fe2—C24B | 2.047 (3) |
C2A—C3A | 1.511 (5) | Fe2—C25B | 2.047 (3) |
C4A—O3A | 1.210 (4) | C1B—O1B | 1.212 (4) |
C4A—O4A | 1.344 (4) | C1B—O2B | 1.343 (4) |
C4A—C44A | 1.486 (4) | C1B—C34B | 1.481 (4) |
O4A—C5A | 1.455 (4) | O2B—C2B | 1.457 (4) |
C5A—C6A | 1.505 (5) | C2B—C3B | 1.496 (5) |
C11A—C12A | 1.430 (4) | C4B—O3B | 1.213 (4) |
C11A—C15A | 1.438 (4) | C4B—O4B | 1.340 (4) |
C11A—C31A | 1.465 (4) | C4B—C44B | 1.480 (4) |
C12A—C13A | 1.428 (4) | O4B—C5B | 1.444 (4) |
C13A—C14A | 1.424 (5) | C5B—C6B | 1.495 (5) |
C14A—C15A | 1.410 (5) | C11B—C12B | 1.436 (4) |
C21A—C22A | 1.430 (4) | C11B—C15B | 1.441 (4) |
C21A—C25A | 1.438 (4) | C11B—C31B | 1.463 (4) |
C21A—C41A | 1.470 (4) | C12B—C13B | 1.413 (5) |
C22A—C23A | 1.422 (4) | C13B—C14B | 1.426 (5) |
C23A—C24A | 1.424 (5) | C14B—C15B | 1.422 (5) |
C24A—C25A | 1.425 (4) | C21B—C25B | 1.433 (4) |
C31A—C32A | 1.401 (4) | C21B—C22B | 1.435 (4) |
C31A—C36A | 1.400 (4) | C21B—C41B | 1.464 (4) |
C32A—C33A | 1.379 (4) | C22B—C23B | 1.423 (4) |
C33A—C34A | 1.392 (4) | C23B—C24B | 1.429 (4) |
C34A—C35A | 1.397 (4) | C24B—C25B | 1.414 (4) |
C35A—C36A | 1.384 (4) | C31B—C32B | 1.400 (4) |
C41A—C42A | 1.396 (4) | C31B—C36B | 1.405 (4) |
C41A—C46A | 1.397 (4) | C32B—C33B | 1.377 (4) |
C42A—C43A | 1.384 (4) | C33B—C34B | 1.395 (4) |
C43A—C44A | 1.393 (4) | C34B—C35B | 1.392 (4) |
C44A—C45A | 1.391 (4) | C35B—C36B | 1.386 (4) |
C45A—C46A | 1.382 (4) | C41B—C42B | 1.403 (4) |
Fe1—C11A | 2.068 (3) | C41B—C46B | 1.407 (4) |
Fe1—C12A | 2.052 (3) | C42B—C43B | 1.383 (4) |
Fe1—C13A | 2.043 (3) | C43B—C44B | 1.393 (4) |
Fe1—C14A | 2.035 (3) | C44B—C45B | 1.396 (4) |
Fe1—C15A | 2.038 (3) | C45B—C46B | 1.372 (4) |
Fe1—C21A | 2.067 (3) | C2B—H2B1 | 0.9900 |
Fe1—C22A | 2.050 (3) | C2B—H2B2 | 0.9900 |
Fe1—C23A | 2.046 (3) | C3B—H3B1 | 0.9800 |
Fe1—C24A | 2.036 (3) | C3B—H3B2 | 0.9800 |
Fe1—C25A | 2.038 (3) | C3B—H3B3 | 0.9800 |
C2A—H2A1 | 0.9900 | C5B—H5B1 | 0.9900 |
C2A—H2A2 | 0.9900 | C5B—H5B2 | 0.9900 |
C3A—H3A1 | 0.9800 | C6B—H6B1 | 0.9800 |
C3A—H3A2 | 0.9800 | C6B—H6B2 | 0.9800 |
C3A—H3A3 | 0.9800 | C6B—H6B3 | 0.9800 |
C5A—H5A1 | 0.9900 | C12B—H12B | 0.9500 |
C5A—H5A2 | 0.9900 | C13B—H13B | 0.9500 |
C6A—H6A1 | 0.9800 | C14B—H14B | 0.9500 |
C6A—H6A2 | 0.9800 | C15B—H15B | 0.9500 |
C6A—H6A3 | 0.9800 | C22B—H22B | 0.9500 |
C12A—H12A | 0.9500 | C23B—H23B | 0.9500 |
C13A—H13A | 0.9500 | C24B—H24B | 0.9500 |
C14A—H14A | 0.9500 | C25B—H25B | 0.9500 |
C15A—H15A | 0.9500 | C32B—H32B | 0.9500 |
C22A—H22A | 0.9500 | C33B—H33B | 0.9500 |
C23A—H23A | 0.9500 | C35B—H35B | 0.9500 |
C24A—H24A | 0.9500 | C36B—H36B | 0.9500 |
C25A—H25A | 0.9500 | C42B—H42B | 0.9500 |
C32A—H32A | 0.9500 | C43B—H43B | 0.9500 |
C33A—H33A | 0.9500 | C45B—H45B | 0.9500 |
C35A—H35A | 0.9500 | C46B—H46B | 0.9500 |
C14A—Fe1—C24A | 106.52 (13) | C22B—Fe2—C23B | 40.85 (12) |
C14A—Fe1—C25A | 123.63 (13) | C22B—Fe2—C13B | 123.24 (13) |
C24A—Fe1—C25A | 40.94 (13) | C23B—Fe2—C13B | 106.55 (13) |
C14A—Fe1—C15A | 40.52 (13) | C22B—Fe2—C14B | 159.73 (13) |
C24A—Fe1—C15A | 120.44 (13) | C23B—Fe2—C14B | 122.95 (14) |
C25A—Fe1—C15A | 107.03 (13) | C13B—Fe2—C14B | 40.86 (13) |
C14A—Fe1—C13A | 40.86 (13) | C22B—Fe2—C12B | 107.30 (13) |
C24A—Fe1—C13A | 123.47 (13) | C23B—Fe2—C12B | 121.07 (13) |
C25A—Fe1—C13A | 160.44 (13) | C13B—Fe2—C12B | 40.44 (13) |
C15A—Fe1—C13A | 68.66 (13) | C14B—Fe2—C12B | 68.54 (13) |
C14A—Fe1—C23A | 120.60 (13) | C22B—Fe2—C25B | 68.38 (12) |
C24A—Fe1—C23A | 40.84 (13) | C23B—Fe2—C25B | 68.17 (13) |
C25A—Fe1—C23A | 68.83 (13) | C13B—Fe2—C25B | 156.95 (13) |
C15A—Fe1—C23A | 155.82 (13) | C14B—Fe2—C25B | 121.77 (13) |
C13A—Fe1—C23A | 106.85 (13) | C12B—Fe2—C25B | 161.62 (13) |
C14A—Fe1—C22A | 156.42 (13) | C22B—Fe2—C24B | 68.87 (13) |
C24A—Fe1—C22A | 68.52 (12) | C23B—Fe2—C24B | 40.91 (12) |
C25A—Fe1—C22A | 68.66 (12) | C13B—Fe2—C24B | 120.93 (13) |
C15A—Fe1—C22A | 162.01 (12) | C14B—Fe2—C24B | 106.59 (13) |
C13A—Fe1—C22A | 121.29 (13) | C12B—Fe2—C24B | 156.51 (13) |
C23A—Fe1—C22A | 40.63 (12) | C25B—Fe2—C24B | 40.41 (12) |
C14A—Fe1—C12A | 68.43 (13) | C22B—Fe2—C15B | 158.12 (13) |
C24A—Fe1—C12A | 160.92 (13) | C23B—Fe2—C15B | 159.94 (13) |
C25A—Fe1—C12A | 157.14 (13) | C13B—Fe2—C15B | 68.40 (13) |
C15A—Fe1—C12A | 68.48 (13) | C14B—Fe2—C15B | 40.65 (13) |
C13A—Fe1—C12A | 40.81 (12) | C12B—Fe2—C15B | 68.51 (12) |
C23A—Fe1—C12A | 124.57 (13) | C25B—Fe2—C15B | 108.43 (13) |
C22A—Fe1—C12A | 108.31 (12) | C24B—Fe2—C15B | 123.68 (13) |
C14A—Fe1—C21A | 161.10 (13) | C22B—Fe2—C21B | 40.91 (11) |
C24A—Fe1—C21A | 68.80 (12) | C23B—Fe2—C21B | 68.75 (12) |
C25A—Fe1—C21A | 41.00 (11) | C13B—Fe2—C21B | 160.39 (13) |
C15A—Fe1—C21A | 124.81 (12) | C14B—Fe2—C21B | 157.66 (13) |
C13A—Fe1—C21A | 156.94 (13) | C12B—Fe2—C21B | 124.42 (12) |
C23A—Fe1—C21A | 68.61 (12) | C25B—Fe2—C21B | 40.71 (11) |
C22A—Fe1—C21A | 40.64 (12) | C24B—Fe2—C21B | 68.79 (12) |
C12A—Fe1—C21A | 121.90 (12) | C15B—Fe2—C21B | 122.49 (12) |
C14A—Fe1—C11A | 68.59 (13) | C22B—Fe2—C11B | 121.90 (12) |
C24A—Fe1—C11A | 156.52 (13) | C23B—Fe2—C11B | 157.18 (13) |
C25A—Fe1—C11A | 121.32 (13) | C13B—Fe2—C11B | 68.49 (13) |
C15A—Fe1—C11A | 40.99 (12) | C14B—Fe2—C11B | 68.78 (13) |
C13A—Fe1—C11A | 68.77 (13) | C12B—Fe2—C11B | 40.81 (12) |
C23A—Fe1—C11A | 161.55 (13) | C25B—Fe2—C11B | 125.06 (12) |
C22A—Fe1—C11A | 125.12 (12) | C24B—Fe2—C11B | 160.89 (13) |
C12A—Fe1—C11A | 40.61 (12) | C15B—Fe2—C11B | 40.92 (12) |
C21A—Fe1—C11A | 107.99 (12) | C21B—Fe2—C11B | 108.04 (12) |
O1A—C1A—O2A | 122.9 (3) | O1B—C1B—O2B | 123.4 (3) |
O1A—C1A—C34A | 124.3 (3) | O1B—C1B—C34B | 124.3 (3) |
O2A—C1A—C34A | 112.7 (3) | O2B—C1B—C34B | 112.3 (3) |
C1A—O2A—C2A | 115.9 (2) | C1B—O2B—C2B | 116.3 (2) |
O2A—C2A—C3A | 107.2 (3) | O2B—C2B—C3B | 107.2 (3) |
O3A—C4A—O4A | 123.5 (3) | O3B—C4B—O4B | 123.5 (3) |
O3A—C4A—C44A | 125.1 (3) | O3B—C4B—C44B | 124.8 (3) |
O4A—C4A—C44A | 111.4 (3) | O4B—C4B—C44B | 111.6 (3) |
C4A—O4A—C5A | 117.0 (3) | C4B—O4B—C5B | 117.4 (3) |
O4A—C5A—C6A | 110.1 (3) | O4B—C5B—C6B | 110.7 (3) |
C12A—C11A—C15A | 106.7 (3) | C12B—C11B—C15B | 106.5 (3) |
C12A—C11A—C31A | 126.5 (3) | C12B—C11B—C31B | 126.8 (3) |
C15A—C11A—C31A | 126.7 (3) | C15B—C11B—C31B | 126.7 (3) |
C12A—C11A—Fe1 | 69.09 (17) | C12B—C11B—Fe2 | 68.56 (17) |
C15A—C11A—Fe1 | 68.38 (17) | C15B—C11B—Fe2 | 68.70 (17) |
C31A—C11A—Fe1 | 128.5 (2) | C31B—C11B—Fe2 | 128.6 (2) |
C13A—C12A—C11A | 108.7 (3) | C13B—C12B—C11B | 108.8 (3) |
C13A—C12A—Fe1 | 69.24 (17) | C13B—C12B—Fe2 | 69.72 (17) |
C11A—C12A—Fe1 | 70.30 (17) | C11B—C12B—Fe2 | 70.63 (17) |
C14A—C13A—C12A | 107.4 (3) | C12B—C13B—C14B | 108.4 (3) |
C14A—C13A—Fe1 | 69.30 (18) | C12B—C13B—Fe2 | 69.85 (17) |
C12A—C13A—Fe1 | 69.95 (17) | C14B—C13B—Fe2 | 69.59 (17) |
C15A—C14A—C13A | 108.6 (3) | C15B—C14B—C13B | 107.7 (3) |
C15A—C14A—Fe1 | 69.84 (17) | C15B—C14B—Fe2 | 69.91 (17) |
C13A—C14A—Fe1 | 69.84 (17) | C13B—C14B—Fe2 | 69.55 (18) |
C14A—C15A—C11A | 108.5 (3) | C14B—C15B—C11B | 108.6 (3) |
C14A—C15A—Fe1 | 69.64 (17) | C14B—C15B—Fe2 | 69.43 (18) |
C11A—C15A—Fe1 | 70.63 (17) | C11B—C15B—Fe2 | 70.38 (17) |
C22A—C21A—C25A | 107.0 (3) | C25B—C21B—C22B | 106.2 (3) |
C22A—C21A—C41A | 126.2 (3) | C25B—C21B—C41B | 126.6 (3) |
C25A—C21A—C41A | 126.8 (3) | C22B—C21B—C41B | 127.2 (3) |
C22A—C21A—Fe1 | 69.01 (16) | C25B—C21B—Fe2 | 68.77 (16) |
C25A—C21A—Fe1 | 68.38 (16) | C22B—C21B—Fe2 | 68.22 (16) |
C41A—C21A—Fe1 | 125.80 (19) | C41B—C21B—Fe2 | 125.9 (2) |
C23A—C22A—C21A | 108.8 (3) | C23B—C22B—C21B | 108.7 (3) |
C23A—C22A—Fe1 | 69.53 (17) | C23B—C22B—Fe2 | 69.83 (17) |
C21A—C22A—Fe1 | 70.35 (16) | C21B—C22B—Fe2 | 70.86 (16) |
C22A—C23A—C24A | 107.9 (3) | C22B—C23B—C24B | 108.1 (3) |
C22A—C23A—Fe1 | 69.84 (17) | C22B—C23B—Fe2 | 69.32 (18) |
C24A—C23A—Fe1 | 69.24 (18) | C24B—C23B—Fe2 | 69.75 (18) |
C23A—C24A—C25A | 108.2 (3) | C25B—C24B—C23B | 107.4 (3) |
C23A—C24A—Fe1 | 69.92 (18) | C25B—C24B—Fe2 | 69.78 (17) |
C25A—C24A—Fe1 | 69.57 (16) | C23B—C24B—Fe2 | 69.33 (17) |
C24A—C25A—C21A | 108.2 (3) | C24B—C25B—C21B | 109.6 (3) |
C24A—C25A—Fe1 | 69.49 (17) | C24B—C25B—Fe2 | 69.80 (17) |
C21A—C25A—Fe1 | 70.62 (16) | C21B—C25B—Fe2 | 70.52 (16) |
C36A—C31A—C32A | 117.5 (3) | C32B—C31B—C36B | 117.4 (3) |
C36A—C31A—C11A | 121.2 (3) | C32B—C31B—C11B | 121.4 (3) |
C32A—C31A—C11A | 121.3 (3) | C36B—C31B—C11B | 121.2 (3) |
C33A—C32A—C31A | 121.2 (3) | C33B—C32B—C31B | 121.6 (3) |
C32A—C33A—C34A | 120.9 (3) | C32B—C33B—C34B | 120.5 (3) |
C33A—C34A—C35A | 118.7 (3) | C35B—C34B—C33B | 118.9 (3) |
C33A—C34A—C1A | 118.8 (3) | C35B—C34B—C1B | 118.7 (3) |
C35A—C34A—C1A | 122.5 (3) | C33B—C34B—C1B | 122.3 (3) |
C36A—C35A—C34A | 120.2 (3) | C36B—C35B—C34B | 120.5 (3) |
C35A—C36A—C31A | 121.5 (3) | C35B—C36B—C31B | 121.1 (3) |
C42A—C41A—C46A | 118.0 (3) | C42B—C41B—C46B | 117.7 (3) |
C42A—C41A—C21A | 121.5 (3) | C42B—C41B—C21B | 121.1 (3) |
C46A—C41A—C21A | 120.5 (3) | C46B—C41B—C21B | 121.2 (3) |
C43A—C42A—C41A | 121.3 (3) | C43B—C42B—C41B | 120.7 (3) |
C42A—C43A—C44A | 119.9 (3) | C42B—C43B—C44B | 120.8 (3) |
C45A—C44A—C43A | 119.3 (3) | C43B—C44B—C45B | 118.9 (3) |
C45A—C44A—C4A | 119.2 (3) | C43B—C44B—C4B | 119.7 (3) |
C43A—C44A—C4A | 121.5 (3) | C45B—C44B—C4B | 121.4 (3) |
C46A—C45A—C44A | 120.3 (3) | C46B—C45B—C44B | 120.5 (3) |
C45A—C46A—C41A | 121.0 (3) | C45B—C46B—C41B | 121.4 (3) |
O2A—C2A—H2A1 | 110.3 | O2B—C2B—H2B1 | 110.3 |
C3A—C2A—H2A1 | 110.3 | C3B—C2B—H2B1 | 110.3 |
O2A—C2A—H2A2 | 110.3 | O2B—C2B—H2B2 | 110.3 |
C3A—C2A—H2A2 | 110.3 | C3B—C2B—H2B2 | 110.3 |
H2A1—C2A—H2A2 | 108.5 | H2B1—C2B—H2B2 | 108.5 |
C2A—C3A—H3A1 | 109.5 | C2B—C3B—H3B1 | 109.5 |
C2A—C3A—H3A2 | 109.5 | C2B—C3B—H3B2 | 109.5 |
H3A1—C3A—H3A2 | 109.5 | H3B1—C3B—H3B2 | 109.5 |
C2A—C3A—H3A3 | 109.5 | C2B—C3B—H3B3 | 109.5 |
H3A1—C3A—H3A3 | 109.5 | H3B1—C3B—H3B3 | 109.5 |
H3A2—C3A—H3A3 | 109.5 | H3B2—C3B—H3B3 | 109.5 |
O4A—C5A—H5A1 | 109.6 | O4B—C5B—H5B1 | 109.5 |
C6A—C5A—H5A1 | 109.6 | C6B—C5B—H5B1 | 109.5 |
O4A—C5A—H5A2 | 109.6 | O4B—C5B—H5B2 | 109.5 |
C6A—C5A—H5A2 | 109.6 | C6B—C5B—H5B2 | 109.5 |
H5A1—C5A—H5A2 | 108.1 | H5B1—C5B—H5B2 | 108.1 |
C5A—C6A—H6A1 | 109.5 | C5B—C6B—H6B1 | 109.5 |
C5A—C6A—H6A2 | 109.5 | C5B—C6B—H6B2 | 109.5 |
H6A1—C6A—H6A2 | 109.5 | H6B1—C6B—H6B2 | 109.5 |
C5A—C6A—H6A3 | 109.5 | C5B—C6B—H6B3 | 109.5 |
H6A1—C6A—H6A3 | 109.5 | H6B1—C6B—H6B3 | 109.5 |
H6A2—C6A—H6A3 | 109.5 | H6B2—C6B—H6B3 | 109.5 |
C13A—C12A—H12A | 125.7 | C13B—C12B—H12B | 125.6 |
C11A—C12A—H12A | 125.7 | C11B—C12B—H12B | 125.6 |
Fe1—C12A—H12A | 126.4 | Fe2—C12B—H12B | 125.6 |
C14A—C13A—H13A | 126.3 | C12B—C13B—H13B | 125.8 |
C12A—C13A—H13A | 126.3 | C14B—C13B—H13B | 125.8 |
Fe1—C13A—H13A | 126.0 | Fe2—C13B—H13B | 126.3 |
C15A—C14A—H14A | 125.7 | C15B—C14B—H14B | 126.1 |
C13A—C14A—H14A | 125.7 | C13B—C14B—H14B | 126.1 |
Fe1—C14A—H14A | 126.2 | Fe2—C14B—H14B | 126.0 |
C14A—C15A—H15A | 125.7 | C14B—C15B—H15B | 125.7 |
C11A—C15A—H15A | 125.7 | C11B—C15B—H15B | 125.7 |
Fe1—C15A—H15A | 125.6 | Fe2—C15B—H15B | 126.1 |
C23A—C22A—H22A | 125.6 | C23B—C22B—H22B | 125.7 |
C21A—C22A—H22A | 125.6 | C21B—C22B—H22B | 125.7 |
Fe1—C22A—H22A | 126.1 | Fe2—C22B—H22B | 125.2 |
C22A—C23A—H23A | 126.1 | C22B—C23B—H23B | 126.0 |
C24A—C23A—H23A | 126.1 | C24B—C23B—H23B | 126.0 |
Fe1—C23A—H23A | 126.4 | Fe2—C23B—H23B | 126.5 |
C23A—C24A—H24A | 125.9 | C25B—C24B—H24B | 126.3 |
C25A—C24A—H24A | 125.9 | C23B—C24B—H24B | 126.3 |
Fe1—C24A—H24A | 126.2 | Fe2—C24B—H24B | 126.2 |
C24A—C25A—H25A | 125.9 | C24B—C25B—H25B | 125.2 |
C21A—C25A—H25A | 125.9 | C21B—C25B—H25B | 125.2 |
Fe1—C25A—H25A | 125.6 | Fe2—C25B—H25B | 126.1 |
C33A—C32A—H32A | 119.4 | C33B—C32B—H32B | 119.2 |
C31A—C32A—H32A | 119.4 | C31B—C32B—H32B | 119.2 |
C32A—C33A—H33A | 119.6 | C32B—C33B—H33B | 119.8 |
C34A—C33A—H33A | 119.6 | C34B—C33B—H33B | 119.8 |
C36A—C35A—H35A | 119.9 | C36B—C35B—H35B | 119.7 |
C34A—C35A—H35A | 119.9 | C34B—C35B—H35B | 119.7 |
C35A—C36A—H36A | 119.2 | C35B—C36B—H36B | 119.5 |
C31A—C36A—H36A | 119.2 | C31B—C36B—H36B | 119.5 |
C43A—C42A—H42A | 119.3 | C43B—C42B—H42B | 119.6 |
C41A—C42A—H42A | 119.3 | C41B—C42B—H42B | 119.6 |
C42A—C43A—H43A | 120.0 | C42B—C43B—H43B | 119.6 |
C44A—C43A—H43A | 120.0 | C44B—C43B—H43B | 119.6 |
C46A—C45A—H45A | 119.8 | C46B—C45B—H45B | 119.8 |
C44A—C45A—H45A | 119.8 | C44B—C45B—H45B | 119.8 |
C45A—C46A—H46A | 119.5 | C45B—C46B—H46B | 119.3 |
C41A—C46A—H46A | 119.5 | C41B—C46B—H46B | 119.3 |
O1A—C1A—O2A—C2A | −6.7 (4) | O1B—C1B—O2B—C2B | 5.5 (4) |
C34A—C1A—O2A—C2A | 171.4 (3) | C34B—C1B—O2B—C2B | −173.8 (3) |
C1A—O2A—C2A—C3A | 172.5 (3) | C1B—O2B—C2B—C3B | −170.7 (3) |
O3A—C4A—O4A—C5A | −3.5 (4) | O3B—C4B—O4B—C5B | 2.6 (5) |
C44A—C4A—O4A—C5A | 177.3 (2) | C44B—C4B—O4B—C5B | −178.4 (3) |
C4A—O4A—C5A—C6A | −87.8 (4) | C4B—O4B—C5B—C6B | 85.7 (4) |
C14A—Fe1—C11A—C12A | −81.4 (2) | C22B—Fe2—C11B—C12B | 79.3 (2) |
C24A—Fe1—C11A—C12A | −163.6 (3) | C23B—Fe2—C11B—C12B | 44.2 (4) |
C25A—Fe1—C11A—C12A | 161.35 (18) | C13B—Fe2—C11B—C12B | −37.31 (19) |
C15A—Fe1—C11A—C12A | −118.9 (3) | C14B—Fe2—C11B—C12B | −81.3 (2) |
C13A—Fe1—C11A—C12A | −37.40 (18) | C25B—Fe2—C11B—C12B | 163.99 (18) |
C23A—Fe1—C11A—C12A | 42.1 (5) | C24B—Fe2—C11B—C12B | −160.7 (3) |
C22A—Fe1—C11A—C12A | 76.7 (2) | C15B—Fe2—C11B—C12B | −118.7 (3) |
C21A—Fe1—C11A—C12A | 118.34 (19) | C21B—Fe2—C11B—C12B | 122.17 (19) |
C14A—Fe1—C11A—C15A | 37.47 (19) | C22B—Fe2—C11B—C15B | −161.94 (18) |
C24A—Fe1—C11A—C15A | −44.7 (4) | C23B—Fe2—C11B—C15B | 162.9 (3) |
C25A—Fe1—C11A—C15A | −79.8 (2) | C13B—Fe2—C11B—C15B | 81.4 (2) |
C13A—Fe1—C11A—C15A | 81.5 (2) | C14B—Fe2—C11B—C15B | 37.38 (19) |
C23A—Fe1—C11A—C15A | 161.0 (4) | C12B—Fe2—C11B—C15B | 118.7 (3) |
C22A—Fe1—C11A—C15A | −164.44 (18) | C25B—Fe2—C11B—C15B | −77.3 (2) |
C12A—Fe1—C11A—C15A | 118.9 (3) | C24B—Fe2—C11B—C15B | −42.0 (4) |
C21A—Fe1—C11A—C15A | −122.78 (19) | C21B—Fe2—C11B—C15B | −119.12 (19) |
C14A—Fe1—C11A—C31A | 157.9 (3) | C22B—Fe2—C11B—C31B | −41.4 (3) |
C24A—Fe1—C11A—C31A | 75.7 (4) | C23B—Fe2—C11B—C31B | −76.5 (4) |
C25A—Fe1—C11A—C31A | 40.7 (3) | C13B—Fe2—C11B—C31B | −158.0 (3) |
C15A—Fe1—C11A—C31A | 120.4 (3) | C14B—Fe2—C11B—C31B | 158.0 (3) |
C13A—Fe1—C11A—C31A | −158.1 (3) | C12B—Fe2—C11B—C31B | −120.7 (3) |
C23A—Fe1—C11A—C31A | −78.6 (5) | C25B—Fe2—C11B—C31B | 43.3 (3) |
C22A—Fe1—C11A—C31A | −44.0 (3) | C24B—Fe2—C11B—C31B | 78.6 (5) |
C12A—Fe1—C11A—C31A | −120.7 (3) | C15B—Fe2—C11B—C31B | 120.6 (3) |
C21A—Fe1—C11A—C31A | −2.4 (3) | C21B—Fe2—C11B—C31B | 1.5 (3) |
C15A—C11A—C12A—C13A | 0.6 (3) | C15B—C11B—C12B—C13B | 1.0 (3) |
C31A—C11A—C12A—C13A | −178.1 (3) | C31B—C11B—C12B—C13B | −177.6 (3) |
Fe1—C11A—C12A—C13A | 58.8 (2) | Fe2—C11B—C12B—C13B | 59.5 (2) |
C15A—C11A—C12A—Fe1 | −58.2 (2) | C15B—C11B—C12B—Fe2 | −58.5 (2) |
C31A—C11A—C12A—Fe1 | 123.1 (3) | C31B—C11B—C12B—Fe2 | 122.9 (3) |
C14A—Fe1—C12A—C13A | −38.14 (19) | C22B—Fe2—C12B—C13B | 121.3 (2) |
C24A—Fe1—C12A—C13A | 39.9 (5) | C23B—Fe2—C12B—C13B | 78.8 (2) |
C25A—Fe1—C12A—C13A | −164.7 (3) | C14B—Fe2—C12B—C13B | −37.7 (2) |
C15A—Fe1—C12A—C13A | −81.8 (2) | C25B—Fe2—C12B—C13B | −165.3 (4) |
C23A—Fe1—C12A—C13A | 75.0 (2) | C24B—Fe2—C12B—C13B | 44.6 (4) |
C22A—Fe1—C12A—C13A | 117.00 (19) | C15B—Fe2—C12B—C13B | −81.5 (2) |
C21A—Fe1—C12A—C13A | 159.64 (18) | C21B—Fe2—C12B—C13B | 163.05 (19) |
C11A—Fe1—C12A—C13A | −120.0 (3) | C11B—Fe2—C12B—C13B | −119.6 (3) |
C14A—Fe1—C12A—C11A | 81.8 (2) | C22B—Fe2—C12B—C11B | −119.08 (19) |
C24A—Fe1—C12A—C11A | 159.9 (3) | C23B—Fe2—C12B—C11B | −161.59 (18) |
C25A—Fe1—C12A—C11A | −44.7 (4) | C13B—Fe2—C12B—C11B | 119.6 (3) |
C15A—Fe1—C12A—C11A | 38.12 (18) | C14B—Fe2—C12B—C11B | 82.0 (2) |
C13A—Fe1—C12A—C11A | 120.0 (3) | C25B—Fe2—C12B—C11B | −45.7 (5) |
C23A—Fe1—C12A—C11A | −165.07 (17) | C24B—Fe2—C12B—C11B | 164.2 (3) |
C22A—Fe1—C12A—C11A | −123.04 (18) | C15B—Fe2—C12B—C11B | 38.13 (18) |
C21A—Fe1—C12A—C11A | −80.4 (2) | C21B—Fe2—C12B—C11B | −77.3 (2) |
C11A—C12A—C13A—C14A | 0.0 (3) | C11B—C12B—C13B—C14B | −0.9 (3) |
Fe1—C12A—C13A—C14A | 59.4 (2) | Fe2—C12B—C13B—C14B | 59.1 (2) |
C11A—C12A—C13A—Fe1 | −59.4 (2) | C11B—C12B—C13B—Fe2 | −60.0 (2) |
C24A—Fe1—C13A—C14A | 75.9 (2) | C22B—Fe2—C13B—C12B | −77.2 (2) |
C25A—Fe1—C13A—C14A | 43.5 (5) | C23B—Fe2—C13B—C12B | −118.8 (2) |
C15A—Fe1—C13A—C14A | −37.26 (19) | C14B—Fe2—C13B—C12B | 119.6 (3) |
C23A—Fe1—C13A—C14A | 117.6 (2) | C25B—Fe2—C13B—C12B | 168.2 (3) |
C22A—Fe1—C13A—C14A | 159.51 (19) | C24B—Fe2—C13B—C12B | −160.95 (18) |
C12A—Fe1—C13A—C14A | −118.6 (3) | C15B—Fe2—C13B—C12B | 81.8 (2) |
C21A—Fe1—C13A—C14A | −167.6 (3) | C21B—Fe2—C13B—C12B | −45.8 (5) |
C11A—Fe1—C13A—C14A | −81.4 (2) | C11B—Fe2—C13B—C12B | 37.64 (19) |
C14A—Fe1—C13A—C12A | 118.6 (3) | C22B—Fe2—C13B—C14B | 163.11 (19) |
C24A—Fe1—C13A—C12A | −165.44 (18) | C23B—Fe2—C13B—C14B | 121.6 (2) |
C25A—Fe1—C13A—C12A | 162.1 (3) | C12B—Fe2—C13B—C14B | −119.6 (3) |
C15A—Fe1—C13A—C12A | 81.37 (19) | C25B—Fe2—C13B—C14B | 48.6 (4) |
C23A—Fe1—C13A—C12A | −123.80 (19) | C24B—Fe2—C13B—C14B | 79.4 (2) |
C22A—Fe1—C13A—C12A | −81.9 (2) | C15B—Fe2—C13B—C14B | −37.86 (19) |
C21A—Fe1—C13A—C12A | −49.0 (4) | C21B—Fe2—C13B—C14B | −165.4 (3) |
C11A—Fe1—C13A—C12A | 37.23 (18) | C11B—Fe2—C13B—C14B | −82.0 (2) |
C12A—C13A—C14A—C15A | −0.5 (3) | C12B—C13B—C14B—C15B | 0.4 (3) |
Fe1—C13A—C14A—C15A | 59.3 (2) | Fe2—C13B—C14B—C15B | 59.7 (2) |
C12A—C13A—C14A—Fe1 | −59.8 (2) | C12B—C13B—C14B—Fe2 | −59.3 (2) |
C24A—Fe1—C14A—C15A | 117.8 (2) | C22B—Fe2—C14B—C15B | −163.4 (3) |
C25A—Fe1—C14A—C15A | 76.3 (2) | C23B—Fe2—C14B—C15B | 164.47 (18) |
C13A—Fe1—C14A—C15A | −119.8 (3) | C13B—Fe2—C14B—C15B | −118.9 (3) |
C23A—Fe1—C14A—C15A | 159.95 (19) | C12B—Fe2—C14B—C15B | −81.6 (2) |
C22A—Fe1—C14A—C15A | −168.2 (3) | C25B—Fe2—C14B—C15B | 81.4 (2) |
C12A—Fe1—C14A—C15A | −81.7 (2) | C24B—Fe2—C14B—C15B | 122.77 (19) |
C21A—Fe1—C14A—C15A | 45.1 (5) | C21B—Fe2—C14B—C15B | 48.3 (4) |
C11A—Fe1—C14A—C15A | −37.89 (18) | C11B—Fe2—C14B—C15B | −37.62 (18) |
C24A—Fe1—C14A—C13A | −122.4 (2) | C22B—Fe2—C14B—C13B | −44.6 (5) |
C25A—Fe1—C14A—C13A | −163.93 (19) | C23B—Fe2—C14B—C13B | −76.7 (2) |
C15A—Fe1—C14A—C13A | 119.8 (3) | C12B—Fe2—C14B—C13B | 37.28 (19) |
C23A—Fe1—C14A—C13A | −80.3 (2) | C25B—Fe2—C14B—C13B | −159.80 (19) |
C22A—Fe1—C14A—C13A | −48.4 (4) | C24B—Fe2—C14B—C13B | −118.4 (2) |
C12A—Fe1—C14A—C13A | 38.08 (19) | C15B—Fe2—C14B—C13B | 118.9 (3) |
C21A—Fe1—C14A—C13A | 164.9 (3) | C21B—Fe2—C14B—C13B | 167.2 (3) |
C11A—Fe1—C14A—C13A | 81.9 (2) | C11B—Fe2—C14B—C13B | 81.2 (2) |
C13A—C14A—C15A—C11A | 0.9 (3) | C13B—C14B—C15B—C11B | 0.2 (3) |
Fe1—C14A—C15A—C11A | 60.2 (2) | Fe2—C14B—C15B—C11B | 59.7 (2) |
C13A—C14A—C15A—Fe1 | −59.3 (2) | C13B—C14B—C15B—Fe2 | −59.5 (2) |
C12A—C11A—C15A—C14A | −0.9 (3) | C12B—C11B—C15B—C14B | −0.7 (3) |
C31A—C11A—C15A—C14A | 177.8 (3) | C31B—C11B—C15B—C14B | 177.9 (3) |
Fe1—C11A—C15A—C14A | −59.5 (2) | Fe2—C11B—C15B—C14B | −59.1 (2) |
C12A—C11A—C15A—Fe1 | 58.7 (2) | C12B—C11B—C15B—Fe2 | 58.4 (2) |
C31A—C11A—C15A—Fe1 | −122.7 (3) | C31B—C11B—C15B—Fe2 | −123.0 (3) |
C24A—Fe1—C15A—C14A | −79.6 (2) | C22B—Fe2—C15B—C14B | 164.6 (3) |
C25A—Fe1—C15A—C14A | −122.2 (2) | C23B—Fe2—C15B—C14B | −40.9 (4) |
C13A—Fe1—C15A—C14A | 37.57 (19) | C13B—Fe2—C15B—C14B | 38.05 (19) |
C23A—Fe1—C15A—C14A | −46.1 (4) | C12B—Fe2—C15B—C14B | 81.7 (2) |
C22A—Fe1—C15A—C14A | 164.6 (4) | C25B—Fe2—C15B—C14B | −117.6 (2) |
C12A—Fe1—C15A—C14A | 81.6 (2) | C24B—Fe2—C15B—C14B | −75.6 (2) |
C21A—Fe1—C15A—C14A | −163.76 (18) | C21B—Fe2—C15B—C14B | −160.33 (19) |
C11A—Fe1—C15A—C14A | 119.3 (3) | C11B—Fe2—C15B—C14B | 119.7 (3) |
C14A—Fe1—C15A—C11A | −119.3 (3) | C22B—Fe2—C15B—C11B | 44.9 (4) |
C24A—Fe1—C15A—C11A | 161.03 (18) | C23B—Fe2—C15B—C11B | −160.6 (3) |
C25A—Fe1—C15A—C11A | 118.45 (19) | C13B—Fe2—C15B—C11B | −81.6 (2) |
C13A—Fe1—C15A—C11A | −81.8 (2) | C14B—Fe2—C15B—C11B | −119.7 (3) |
C23A—Fe1—C15A—C11A | −165.4 (3) | C12B—Fe2—C15B—C11B | −38.02 (18) |
C22A—Fe1—C15A—C11A | 45.3 (5) | C25B—Fe2—C15B—C11B | 122.68 (18) |
C12A—Fe1—C15A—C11A | −37.78 (18) | C24B—Fe2—C15B—C11B | 164.75 (17) |
C21A—Fe1—C15A—C11A | 76.9 (2) | C21B—Fe2—C15B—C11B | 80.0 (2) |
C14A—Fe1—C21A—C22A | 160.3 (4) | C22B—Fe2—C21B—C25B | −118.6 (3) |
C24A—Fe1—C21A—C22A | 81.31 (19) | C23B—Fe2—C21B—C25B | −80.81 (19) |
C25A—Fe1—C21A—C22A | 119.3 (3) | C13B—Fe2—C21B—C25B | −160.4 (4) |
C15A—Fe1—C21A—C22A | −165.60 (17) | C14B—Fe2—C21B—C25B | 45.3 (4) |
C13A—Fe1—C21A—C22A | −45.5 (4) | C12B—Fe2—C21B—C25B | 165.32 (18) |
C23A—Fe1—C21A—C22A | 37.33 (18) | C24B—Fe2—C21B—C25B | −36.77 (18) |
C12A—Fe1—C21A—C22A | −81.0 (2) | C15B—Fe2—C21B—C25B | 80.5 (2) |
C11A—Fe1—C21A—C22A | −123.40 (18) | C11B—Fe2—C21B—C25B | 123.21 (18) |
C14A—Fe1—C21A—C25A | 41.0 (4) | C23B—Fe2—C21B—C22B | 37.77 (18) |
C24A—Fe1—C21A—C25A | −37.94 (18) | C13B—Fe2—C21B—C22B | −41.8 (4) |
C15A—Fe1—C21A—C25A | 75.2 (2) | C14B—Fe2—C21B—C22B | 163.8 (3) |
C13A—Fe1—C21A—C25A | −164.7 (3) | C12B—Fe2—C21B—C22B | −76.1 (2) |
C23A—Fe1—C21A—C25A | −81.9 (2) | C25B—Fe2—C21B—C22B | 118.6 (3) |
C22A—Fe1—C21A—C25A | −119.3 (3) | C24B—Fe2—C21B—C22B | 81.81 (19) |
C12A—Fe1—C21A—C25A | 159.79 (18) | C15B—Fe2—C21B—C22B | −160.93 (18) |
C11A—Fe1—C21A—C25A | 117.35 (19) | C11B—Fe2—C21B—C22B | −118.21 (18) |
C14A—Fe1—C21A—C41A | −79.5 (5) | C22B—Fe2—C21B—C41B | 120.9 (3) |
C24A—Fe1—C21A—C41A | −158.5 (3) | C23B—Fe2—C21B—C41B | 158.7 (3) |
C25A—Fe1—C21A—C41A | −120.5 (3) | C13B—Fe2—C21B—C41B | 79.1 (5) |
C15A—Fe1—C21A—C41A | −45.4 (3) | C14B—Fe2—C21B—C41B | −75.2 (4) |
C13A—Fe1—C21A—C41A | 74.7 (4) | C12B—Fe2—C21B—C41B | 44.8 (3) |
C23A—Fe1—C21A—C41A | 157.5 (3) | C25B—Fe2—C21B—C41B | −120.5 (3) |
C22A—Fe1—C21A—C41A | 120.2 (3) | C24B—Fe2—C21B—C41B | −157.3 (3) |
C12A—Fe1—C21A—C41A | 39.3 (3) | C15B—Fe2—C21B—C41B | −40.0 (3) |
C11A—Fe1—C21A—C41A | −3.2 (3) | C11B—Fe2—C21B—C41B | 2.7 (3) |
C25A—C21A—C22A—C23A | −1.1 (3) | C25B—C21B—C22B—C23B | −1.3 (3) |
C41A—C21A—C22A—C23A | −178.8 (3) | C41B—C21B—C22B—C23B | −179.2 (3) |
Fe1—C21A—C22A—C23A | −59.1 (2) | Fe2—C21B—C22B—C23B | −59.8 (2) |
C25A—C21A—C22A—Fe1 | 58.01 (19) | C25B—C21B—C22B—Fe2 | 58.49 (19) |
C41A—C21A—C22A—Fe1 | −119.7 (3) | C41B—C21B—C22B—Fe2 | −119.3 (3) |
C14A—Fe1—C22A—C23A | −44.3 (4) | C13B—Fe2—C22B—C23B | −76.3 (2) |
C24A—Fe1—C22A—C23A | 37.82 (19) | C14B—Fe2—C22B—C23B | −43.0 (4) |
C25A—Fe1—C22A—C23A | 82.0 (2) | C12B—Fe2—C22B—C23B | −117.78 (19) |
C15A—Fe1—C22A—C23A | 161.3 (4) | C25B—Fe2—C22B—C23B | 81.19 (19) |
C13A—Fe1—C22A—C23A | −79.2 (2) | C24B—Fe2—C22B—C23B | 37.65 (18) |
C12A—Fe1—C22A—C23A | −122.15 (19) | C15B—Fe2—C22B—C23B | 166.9 (3) |
C21A—Fe1—C22A—C23A | 119.9 (3) | C21B—Fe2—C22B—C23B | 119.2 (3) |
C11A—Fe1—C22A—C23A | −164.00 (19) | C11B—Fe2—C22B—C23B | −160.05 (18) |
C14A—Fe1—C22A—C21A | −164.1 (3) | C23B—Fe2—C22B—C21B | −119.2 (3) |
C24A—Fe1—C22A—C21A | −82.05 (19) | C13B—Fe2—C22B—C21B | 164.49 (18) |
C25A—Fe1—C22A—C21A | −37.92 (17) | C14B—Fe2—C22B—C21B | −162.2 (3) |
C15A—Fe1—C22A—C21A | 41.4 (5) | C12B—Fe2—C22B—C21B | 122.99 (18) |
C13A—Fe1—C22A—C21A | 160.93 (18) | C25B—Fe2—C22B—C21B | −38.04 (17) |
C23A—Fe1—C22A—C21A | −119.9 (3) | C24B—Fe2—C22B—C21B | −81.58 (18) |
C12A—Fe1—C22A—C21A | 117.97 (18) | C15B—Fe2—C22B—C21B | 47.7 (4) |
C11A—Fe1—C22A—C21A | 76.1 (2) | C11B—Fe2—C22B—C21B | 80.7 (2) |
C21A—C22A—C23A—C24A | 0.6 (3) | C21B—C22B—C23B—C24B | 1.3 (3) |
Fe1—C22A—C23A—C24A | −59.0 (2) | Fe2—C22B—C23B—C24B | −59.2 (2) |
C21A—C22A—C23A—Fe1 | 59.6 (2) | C21B—C22B—C23B—Fe2 | 60.5 (2) |
C14A—Fe1—C23A—C22A | 161.07 (19) | C13B—Fe2—C23B—C22B | 122.04 (19) |
C24A—Fe1—C23A—C22A | −119.2 (3) | C14B—Fe2—C23B—C22B | 163.65 (18) |
C25A—Fe1—C23A—C22A | −81.49 (19) | C12B—Fe2—C23B—C22B | 80.5 (2) |
C15A—Fe1—C23A—C22A | −166.0 (3) | C25B—Fe2—C23B—C22B | −81.74 (19) |
C13A—Fe1—C23A—C22A | 118.71 (19) | C24B—Fe2—C23B—C22B | −119.5 (3) |
C12A—Fe1—C23A—C22A | 77.4 (2) | C15B—Fe2—C23B—C22B | −165.8 (3) |
C21A—Fe1—C23A—C22A | −37.34 (18) | C21B—Fe2—C23B—C22B | −37.82 (17) |
C11A—Fe1—C23A—C22A | 45.4 (5) | C11B—Fe2—C23B—C22B | 48.3 (4) |
C14A—Fe1—C23A—C24A | −79.7 (2) | C22B—Fe2—C23B—C24B | 119.5 (3) |
C25A—Fe1—C23A—C24A | 37.75 (18) | C13B—Fe2—C23B—C24B | −118.42 (19) |
C15A—Fe1—C23A—C24A | −46.7 (4) | C14B—Fe2—C23B—C24B | −76.8 (2) |
C13A—Fe1—C23A—C24A | −122.1 (2) | C12B—Fe2—C23B—C24B | −160.00 (18) |
C22A—Fe1—C23A—C24A | 119.2 (3) | C25B—Fe2—C23B—C24B | 37.80 (17) |
C12A—Fe1—C23A—C24A | −163.31 (18) | C15B—Fe2—C23B—C24B | −46.2 (4) |
C21A—Fe1—C23A—C24A | 81.9 (2) | C21B—Fe2—C23B—C24B | 81.72 (19) |
C11A—Fe1—C23A—C24A | 164.7 (4) | C11B—Fe2—C23B—C24B | 167.8 (3) |
C22A—C23A—C24A—C25A | 0.1 (3) | C22B—C23B—C24B—C25B | −0.7 (3) |
Fe1—C23A—C24A—C25A | −59.2 (2) | Fe2—C23B—C24B—C25B | −59.7 (2) |
C22A—C23A—C24A—Fe1 | 59.4 (2) | C22B—C23B—C24B—Fe2 | 58.9 (2) |
C14A—Fe1—C24A—C23A | 118.0 (2) | C22B—Fe2—C24B—C25B | 81.05 (19) |
C25A—Fe1—C24A—C23A | −119.4 (3) | C23B—Fe2—C24B—C25B | 118.6 (3) |
C15A—Fe1—C24A—C23A | 159.76 (18) | C13B—Fe2—C24B—C25B | −161.98 (18) |
C13A—Fe1—C24A—C23A | 76.5 (2) | C14B—Fe2—C24B—C25B | −119.84 (19) |
C22A—Fe1—C24A—C23A | −37.63 (18) | C12B—Fe2—C24B—C25B | 165.9 (3) |
C12A—Fe1—C24A—C23A | 46.3 (5) | C15B—Fe2—C24B—C25B | −78.7 (2) |
C21A—Fe1—C24A—C23A | −81.41 (19) | C21B—Fe2—C24B—C25B | 37.03 (18) |
C11A—Fe1—C24A—C23A | −167.9 (3) | C11B—Fe2—C24B—C25B | −46.9 (4) |
C14A—Fe1—C24A—C25A | −122.65 (19) | C22B—Fe2—C24B—C23B | −37.60 (18) |
C15A—Fe1—C24A—C25A | −80.8 (2) | C13B—Fe2—C24B—C23B | 79.4 (2) |
C13A—Fe1—C24A—C25A | −164.10 (18) | C14B—Fe2—C24B—C23B | 121.5 (2) |
C23A—Fe1—C24A—C25A | 119.4 (3) | C12B—Fe2—C24B—C23B | 47.3 (4) |
C22A—Fe1—C24A—C25A | 81.76 (19) | C25B—Fe2—C24B—C23B | −118.6 (3) |
C12A—Fe1—C24A—C25A | 165.7 (3) | C15B—Fe2—C24B—C23B | 162.68 (18) |
C21A—Fe1—C24A—C25A | 37.99 (18) | C21B—Fe2—C24B—C23B | −81.62 (19) |
C11A—Fe1—C24A—C25A | −48.5 (4) | C11B—Fe2—C24B—C23B | −165.6 (3) |
C23A—C24A—C25A—C21A | −0.8 (3) | C23B—C24B—C25B—C21B | −0.1 (3) |
Fe1—C24A—C25A—C21A | −60.28 (19) | Fe2—C24B—C25B—C21B | −59.5 (2) |
C23A—C24A—C25A—Fe1 | 59.5 (2) | C23B—C24B—C25B—Fe2 | 59.4 (2) |
C22A—C21A—C25A—C24A | 1.2 (3) | C22B—C21B—C25B—C24B | 0.9 (3) |
C41A—C21A—C25A—C24A | 178.9 (3) | C41B—C21B—C25B—C24B | 178.7 (3) |
Fe1—C21A—C25A—C24A | 59.6 (2) | Fe2—C21B—C25B—C24B | 59.0 (2) |
C22A—C21A—C25A—Fe1 | −58.40 (19) | C22B—C21B—C25B—Fe2 | −58.15 (19) |
C41A—C21A—C25A—Fe1 | 119.3 (3) | C41B—C21B—C25B—Fe2 | 119.7 (3) |
C14A—Fe1—C25A—C24A | 75.8 (2) | C22B—Fe2—C25B—C24B | −82.4 (2) |
C15A—Fe1—C25A—C24A | 117.11 (19) | C23B—Fe2—C25B—C24B | −38.25 (19) |
C13A—Fe1—C25A—C24A | 43.1 (5) | C13B—Fe2—C25B—C24B | 42.7 (4) |
C23A—Fe1—C25A—C24A | −37.66 (18) | C14B—Fe2—C25B—C24B | 77.9 (2) |
C22A—Fe1—C25A—C24A | −81.40 (19) | C12B—Fe2—C25B—C24B | −162.1 (4) |
C12A—Fe1—C25A—C24A | −168.0 (3) | C15B—Fe2—C25B—C24B | 120.68 (19) |
C21A—Fe1—C25A—C24A | −119.0 (3) | C21B—Fe2—C25B—C24B | −120.6 (3) |
C11A—Fe1—C25A—C24A | 159.57 (18) | C11B—Fe2—C25B—C24B | 163.02 (18) |
C14A—Fe1—C25A—C21A | −165.21 (18) | C22B—Fe2—C25B—C21B | 38.22 (18) |
C24A—Fe1—C25A—C21A | 119.0 (3) | C23B—Fe2—C25B—C21B | 82.35 (19) |
C15A—Fe1—C25A—C21A | −123.90 (18) | C13B—Fe2—C25B—C21B | 163.3 (3) |
C13A—Fe1—C25A—C21A | 162.0 (3) | C14B—Fe2—C25B—C21B | −161.48 (18) |
C23A—Fe1—C25A—C21A | 81.34 (19) | C12B—Fe2—C25B—C21B | −41.5 (5) |
C22A—Fe1—C25A—C21A | 37.59 (17) | C24B—Fe2—C25B—C21B | 120.6 (3) |
C12A—Fe1—C25A—C21A | −49.0 (4) | C15B—Fe2—C25B—C21B | −118.72 (19) |
C11A—Fe1—C25A—C21A | −81.4 (2) | C11B—Fe2—C25B—C21B | −76.4 (2) |
C12A—C11A—C31A—C36A | −12.6 (4) | C12B—C11B—C31B—C32B | −168.8 (3) |
C15A—C11A—C31A—C36A | 169.0 (3) | C15B—C11B—C31B—C32B | 12.8 (5) |
Fe1—C11A—C31A—C36A | 78.6 (3) | Fe2—C11B—C31B—C32B | −78.0 (4) |
C12A—C11A—C31A—C32A | 166.5 (3) | C12B—C11B—C31B—C36B | 13.0 (5) |
C15A—C11A—C31A—C32A | −12.0 (4) | C15B—C11B—C31B—C36B | −165.3 (3) |
Fe1—C11A—C31A—C32A | −102.3 (3) | Fe2—C11B—C31B—C36B | 103.8 (3) |
C36A—C31A—C32A—C33A | 2.4 (4) | C36B—C31B—C32B—C33B | 1.7 (4) |
C11A—C31A—C32A—C33A | −176.7 (3) | C11B—C31B—C32B—C33B | −176.5 (3) |
C31A—C32A—C33A—C34A | −0.5 (4) | C31B—C32B—C33B—C34B | −0.9 (4) |
C32A—C33A—C34A—C35A | −0.9 (4) | C32B—C33B—C34B—C35B | −0.5 (4) |
C32A—C33A—C34A—C1A | 176.5 (3) | C32B—C33B—C34B—C1B | 176.5 (3) |
O1A—C1A—C34A—C33A | −4.9 (5) | O1B—C1B—C34B—C35B | 5.4 (5) |
O2A—C1A—C34A—C33A | 177.1 (3) | O2B—C1B—C34B—C35B | −175.3 (3) |
O1A—C1A—C34A—C35A | 172.4 (3) | O1B—C1B—C34B—C33B | −171.6 (3) |
O2A—C1A—C34A—C35A | −5.6 (4) | O2B—C1B—C34B—C33B | 7.7 (4) |
C33A—C34A—C35A—C36A | 0.5 (4) | C33B—C34B—C35B—C36B | 1.0 (4) |
C1A—C34A—C35A—C36A | −176.8 (3) | C1B—C34B—C35B—C36B | −176.1 (3) |
C34A—C35A—C36A—C31A | 1.4 (4) | C34B—C35B—C36B—C31B | −0.1 (4) |
C32A—C31A—C36A—C35A | −2.8 (4) | C32B—C31B—C36B—C35B | −1.2 (4) |
C11A—C31A—C36A—C35A | 176.3 (3) | C11B—C31B—C36B—C35B | 177.0 (3) |
C22A—C21A—C41A—C42A | 164.4 (3) | C25B—C21B—C41B—C42B | 15.8 (4) |
C25A—C21A—C41A—C42A | −12.9 (4) | C22B—C21B—C41B—C42B | −166.8 (3) |
Fe1—C21A—C41A—C42A | 75.5 (3) | Fe2—C21B—C41B—C42B | 104.7 (3) |
C22A—C21A—C41A—C46A | −15.0 (4) | C25B—C21B—C41B—C46B | −162.7 (3) |
C25A—C21A—C41A—C46A | 167.8 (3) | C22B—C21B—C41B—C46B | 14.7 (4) |
Fe1—C21A—C41A—C46A | −103.9 (3) | Fe2—C21B—C41B—C46B | −73.8 (3) |
C46A—C41A—C42A—C43A | 1.5 (4) | C46B—C41B—C42B—C43B | 0.3 (4) |
C21A—C41A—C42A—C43A | −177.9 (3) | C21B—C41B—C42B—C43B | −178.3 (3) |
C41A—C42A—C43A—C44A | −0.4 (4) | C41B—C42B—C43B—C44B | 0.6 (4) |
C42A—C43A—C44A—C45A | −1.1 (4) | C42B—C43B—C44B—C45B | −1.4 (4) |
C42A—C43A—C44A—C4A | 176.8 (3) | C42B—C43B—C44B—C4B | 176.5 (3) |
O3A—C4A—C44A—C45A | −4.7 (5) | O3B—C4B—C44B—C43B | 3.4 (5) |
O4A—C4A—C44A—C45A | 174.5 (3) | O4B—C4B—C44B—C43B | −175.6 (3) |
O3A—C4A—C44A—C43A | 177.5 (3) | O3B—C4B—C44B—C45B | −178.7 (3) |
O4A—C4A—C44A—C43A | −3.4 (4) | O4B—C4B—C44B—C45B | 2.3 (4) |
C43A—C44A—C45A—C46A | 1.5 (4) | C43B—C44B—C45B—C46B | 1.3 (4) |
C4A—C44A—C45A—C46A | −176.4 (3) | C4B—C44B—C45B—C46B | −176.6 (3) |
C44A—C45A—C46A—C41A | −0.5 (4) | C44B—C45B—C46B—C41B | −0.4 (4) |
C42A—C41A—C46A—C45A | −1.0 (4) | C42B—C41B—C46B—C45B | −0.4 (4) |
C21A—C41A—C46A—C45A | 178.4 (3) | C21B—C41B—C46B—C45B | 178.2 (3) |
D—H···A | D—H | H···A | D···A | D—H···A |
C6A—H6A2···O3Bi | 0.98 | 2.69 | 3.613 (4) | 156 |
C35A—H35A···O1Bii | 0.95 | 2.64 | 3.504 (4) | 151 |
C15B—H15B···C32Aiii | 0.95 | 2.72 | 3.667 (4) | 171 |
C33B—H33B···O1Aiii | 0.95 | 2.63 | 3.476 (4) | 148 |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) x+1, y−1, z; (iii) x, y+1, z. |
C120H86Fe5Na10O23 | F(000) = 9840 |
Mr = 2405.04 | Dx = 1.650 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 17345 reflections |
a = 36.4368 (10) Å | θ = 2.6–25.0° |
b = 11.5998 (4) Å | µ = 0.86 mm−1 |
c = 45.8014 (11) Å | T = 150 K |
V = 19358.4 (10) Å3 | Block, red |
Z = 40 | 0.15 × 0.10 × 0.05 mm |
Kappa-CCD diffractometer | 17082 independent reflections |
Radiation source: X-ray tube | 6015 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.137 |
φ, ω scans with κ offsets | θmax = 25.0°, θmin = 2.6° |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | h = −43→43 |
Tmin = 0.882, Tmax = 0.958 | k = −13→13 |
31468 measured reflections | l = −54→54 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.064 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.158 | H atoms treated by a mixture of independent and constrained refinement |
S = 0.94 | w = 1/[σ2(Fo2) + (0.0499P)2] where P = (Fo2 + 2Fc2)/3 |
17082 reflections | (Δ/σ)max = 0.001 |
1441 parameters | Δρmax = 0.59 e Å−3 |
9 restraints | Δρmin = −0.45 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Fe1 | 0.59594 (2) | 0.60582 (9) | 0.447729 (18) | 0.0314 (3) | |
O11A | 0.57375 (12) | 0.7339 (4) | 0.28115 (9) | 0.0424 (13) | |
O12A | 0.61117 (13) | 0.8798 (4) | 0.29115 (9) | 0.0464 (14) | |
C1A | 0.5892 (2) | 0.8038 (7) | 0.29893 (14) | 0.040 (2) | |
O21A | 0.62641 (11) | 0.4987 (4) | 0.27909 (8) | 0.0347 (12) | |
O22A | 0.67155 (11) | 0.6250 (4) | 0.28547 (8) | 0.0340 (12) | |
C2A | 0.64672 (19) | 0.5593 (6) | 0.29558 (13) | 0.0294 (18) | |
C11A | 0.56622 (17) | 0.7213 (6) | 0.42282 (13) | 0.0318 (19) | |
C12A | 0.58390 (18) | 0.7784 (6) | 0.44647 (14) | 0.041 (2) | |
H12A | 0.6012 | 0.8392 | 0.4447 | 0.049* | |
C13A | 0.5717 (2) | 0.7304 (7) | 0.47280 (14) | 0.047 (2) | |
H13A | 0.5790 | 0.7542 | 0.4918 | 0.056* | |
C14A | 0.54654 (19) | 0.6405 (7) | 0.46644 (14) | 0.048 (2) | |
H14A | 0.5344 | 0.5930 | 0.4803 | 0.057* | |
C15A | 0.54291 (16) | 0.6341 (6) | 0.43564 (15) | 0.040 (2) | |
H15A | 0.5278 | 0.5817 | 0.4252 | 0.048* | |
C21A | 0.63152 (16) | 0.5209 (6) | 0.42061 (13) | 0.0290 (18) | |
C22A | 0.65065 (16) | 0.5840 (6) | 0.44218 (12) | 0.034 (2) | |
H22A | 0.6680 | 0.6434 | 0.4385 | 0.041* | |
C23A | 0.63986 (18) | 0.5447 (7) | 0.47036 (13) | 0.041 (2) | |
H23A | 0.6485 | 0.5732 | 0.4886 | 0.049* | |
C24A | 0.61362 (17) | 0.4541 (6) | 0.46626 (13) | 0.037 (2) | |
H24A | 0.6018 | 0.4114 | 0.4813 | 0.045* | |
C25A | 0.60839 (17) | 0.4394 (6) | 0.43542 (13) | 0.0324 (19) | |
H25A | 0.5924 | 0.3853 | 0.4264 | 0.039* | |
C31A | 0.56978 (16) | 0.7478 (6) | 0.39096 (13) | 0.0304 (18) | |
C32A | 0.55367 (17) | 0.6758 (6) | 0.37001 (13) | 0.036 (2) | |
H32A | 0.5390 | 0.6122 | 0.3760 | 0.044* | |
C33A | 0.55904 (17) | 0.6971 (6) | 0.34070 (13) | 0.036 (2) | |
H33A | 0.5479 | 0.6477 | 0.3267 | 0.043* | |
C34A | 0.58046 (17) | 0.7896 (6) | 0.33094 (13) | 0.0315 (18) | |
C35A | 0.59519 (16) | 0.8630 (6) | 0.35187 (14) | 0.0368 (19) | |
H35A | 0.6091 | 0.9282 | 0.3459 | 0.044* | |
C36A | 0.58980 (17) | 0.8420 (6) | 0.38139 (13) | 0.0330 (19) | |
H36A | 0.6001 | 0.8934 | 0.3953 | 0.040* | |
C41A | 0.63443 (16) | 0.5328 (6) | 0.38896 (13) | 0.0264 (18) | |
C42A | 0.61926 (16) | 0.4495 (6) | 0.37001 (13) | 0.0278 (18) | |
H42A | 0.6066 | 0.3851 | 0.3780 | 0.033* | |
C43A | 0.62253 (16) | 0.4603 (6) | 0.34010 (13) | 0.0274 (17) | |
H43A | 0.6117 | 0.4041 | 0.3277 | 0.033* | |
C44A | 0.64156 (16) | 0.5525 (6) | 0.32783 (13) | 0.0268 (18) | |
C45A | 0.65646 (16) | 0.6337 (6) | 0.34632 (12) | 0.0288 (18) | |
H45A | 0.6695 | 0.6973 | 0.3383 | 0.035* | |
C46A | 0.65286 (16) | 0.6245 (6) | 0.37628 (13) | 0.0299 (18) | |
H46A | 0.6632 | 0.6823 | 0.3884 | 0.036* | |
Fe2 | 0.69743 (2) | 0.61249 (9) | 0.057868 (17) | 0.0298 (3) | |
O11B | 0.70537 (11) | 0.8710 (4) | 0.21740 (8) | 0.0316 (12) | |
O12B | 0.65992 (11) | 0.7451 (4) | 0.22458 (8) | 0.0305 (12) | |
C1B | 0.68132 (19) | 0.8019 (6) | 0.20812 (13) | 0.0276 (18) | |
O21B | 0.75648 (11) | 0.6194 (4) | 0.22363 (8) | 0.0307 (12) | |
O22B | 0.71060 (11) | 0.4942 (4) | 0.22580 (8) | 0.0309 (12) | |
C2B | 0.73371 (19) | 0.5547 (7) | 0.21167 (13) | 0.0318 (18) | |
C11B | 0.66836 (16) | 0.7292 (6) | 0.08326 (13) | 0.0277 (18) | |
C12B | 0.64440 (16) | 0.6478 (6) | 0.06904 (13) | 0.039 (2) | |
H12B | 0.6283 | 0.5957 | 0.0786 | 0.047* | |
C13B | 0.64902 (18) | 0.6588 (7) | 0.03817 (13) | 0.042 (2) | |
H13B | 0.6362 | 0.6165 | 0.0237 | 0.050* | |
C14B | 0.67642 (18) | 0.7446 (7) | 0.03302 (13) | 0.042 (2) | |
H14B | 0.6854 | 0.7686 | 0.0145 | 0.050* | |
C15B | 0.68771 (17) | 0.7870 (6) | 0.06026 (13) | 0.0365 (19) | |
H15B | 0.7056 | 0.8455 | 0.0631 | 0.044* | |
C21B | 0.73074 (16) | 0.5199 (6) | 0.08589 (13) | 0.0280 (18) | |
C22B | 0.70765 (17) | 0.4451 (6) | 0.06906 (13) | 0.0342 (19) | |
H22B | 0.6902 | 0.3921 | 0.0767 | 0.041* | |
C23B | 0.71535 (19) | 0.4640 (6) | 0.03922 (13) | 0.041 (2) | |
H23B | 0.7040 | 0.4248 | 0.0234 | 0.049* | |
C24B | 0.74237 (18) | 0.5494 (7) | 0.03649 (13) | 0.039 (2) | |
H24B | 0.7525 | 0.5776 | 0.0188 | 0.047* | |
C25B | 0.75188 (16) | 0.5865 (6) | 0.06533 (13) | 0.034 (2) | |
H25B | 0.7691 | 0.6449 | 0.0701 | 0.040* | |
C31B | 0.67114 (16) | 0.7502 (6) | 0.11443 (13) | 0.0290 (18) | |
C32B | 0.68978 (16) | 0.8445 (6) | 0.12613 (12) | 0.0297 (18) | |
H32B | 0.7004 | 0.8990 | 0.1132 | 0.036* | |
C33B | 0.69340 (15) | 0.8618 (6) | 0.15586 (12) | 0.0263 (17) | |
H33B | 0.7069 | 0.9262 | 0.1628 | 0.032* | |
C34B | 0.67751 (16) | 0.7863 (6) | 0.17566 (13) | 0.0288 (18) | |
C35B | 0.65751 (16) | 0.6924 (6) | 0.16443 (12) | 0.0302 (18) | |
H35B | 0.6458 | 0.6405 | 0.1775 | 0.036* | |
C36B | 0.65479 (16) | 0.6747 (6) | 0.13495 (13) | 0.0295 (18) | |
H36B | 0.6415 | 0.6097 | 0.1280 | 0.035* | |
C41B | 0.73180 (16) | 0.5293 (6) | 0.11768 (13) | 0.0265 (18) | |
C42B | 0.74956 (16) | 0.6217 (6) | 0.13164 (12) | 0.0293 (18) | |
H42B | 0.7611 | 0.6794 | 0.1201 | 0.035* | |
C43B | 0.75064 (16) | 0.6308 (6) | 0.16171 (12) | 0.0287 (18) | |
H43B | 0.7629 | 0.6938 | 0.1707 | 0.034* | |
C44B | 0.73336 (16) | 0.5459 (6) | 0.17907 (12) | 0.0233 (17) | |
C45B | 0.71502 (15) | 0.4542 (6) | 0.16542 (12) | 0.0253 (17) | |
H45B | 0.7028 | 0.3978 | 0.1769 | 0.030* | |
C46B | 0.71477 (16) | 0.4458 (6) | 0.13524 (12) | 0.0280 (18) | |
H46B | 0.7028 | 0.3822 | 0.1263 | 0.034* | |
Fe3 | 0.40025 (2) | 0.61565 (10) | 0.442009 (18) | 0.0327 (3) | |
O11C | 0.33067 (11) | 0.7470 (4) | 0.27903 (8) | 0.0320 (12) | |
O12C | 0.37684 (11) | 0.8721 (4) | 0.28057 (8) | 0.0322 (12) | |
C1C | 0.35539 (19) | 0.8005 (6) | 0.29278 (13) | 0.0306 (18) | |
O21C | 0.38241 (11) | 0.4843 (4) | 0.27814 (8) | 0.0353 (12) | |
O22C | 0.41961 (12) | 0.6358 (4) | 0.27507 (9) | 0.0435 (13) | |
C2C | 0.40543 (18) | 0.5535 (6) | 0.28904 (13) | 0.0296 (18) | |
C11C | 0.36728 (17) | 0.7260 (6) | 0.41748 (14) | 0.0314 (18) | |
C12C | 0.38848 (18) | 0.7886 (7) | 0.43862 (14) | 0.044 (2) | |
H12C | 0.4057 | 0.8479 | 0.4344 | 0.052* | |
C13C | 0.3797 (2) | 0.7480 (7) | 0.46654 (14) | 0.049 (2) | |
H13C | 0.3898 | 0.7759 | 0.4843 | 0.059* | |
C14C | 0.35317 (18) | 0.6584 (7) | 0.46412 (14) | 0.048 (2) | |
H14C | 0.3422 | 0.6171 | 0.4798 | 0.058* | |
C15C | 0.34620 (17) | 0.6423 (7) | 0.43371 (14) | 0.041 (2) | |
H15C | 0.3303 | 0.5859 | 0.4255 | 0.049* | |
C21C | 0.43234 (17) | 0.5219 (6) | 0.41346 (13) | 0.0320 (19) | |
C22C | 0.45402 (16) | 0.5973 (6) | 0.43122 (14) | 0.039 (2) | |
H22C | 0.4696 | 0.6576 | 0.4246 | 0.047* | |
C23C | 0.44780 (17) | 0.5645 (7) | 0.46094 (13) | 0.041 (2) | |
H23C | 0.4590 | 0.5989 | 0.4775 | 0.049* | |
C24C | 0.42240 (19) | 0.4732 (7) | 0.46174 (13) | 0.046 (2) | |
H24C | 0.4134 | 0.4362 | 0.4788 | 0.055* | |
C25C | 0.41262 (17) | 0.4463 (6) | 0.43292 (13) | 0.0339 (19) | |
H25C | 0.3958 | 0.3880 | 0.4272 | 0.041* | |
C31C | 0.36568 (17) | 0.7441 (7) | 0.38558 (13) | 0.032 (2) | |
C32C | 0.34675 (16) | 0.6642 (6) | 0.36782 (13) | 0.0333 (19) | |
H32C | 0.3362 | 0.5971 | 0.3762 | 0.040* | |
C33C | 0.34376 (16) | 0.6839 (6) | 0.33857 (13) | 0.0298 (18) | |
H33C | 0.3303 | 0.6307 | 0.3270 | 0.036* | |
C34C | 0.35960 (16) | 0.7789 (6) | 0.32499 (12) | 0.0266 (18) | |
C35C | 0.37916 (16) | 0.8573 (6) | 0.34223 (13) | 0.0327 (19) | |
H35C | 0.3906 | 0.9225 | 0.3336 | 0.039* | |
C36C | 0.38164 (16) | 0.8389 (6) | 0.37219 (13) | 0.0302 (18) | |
H36C | 0.3947 | 0.8929 | 0.3838 | 0.036* | |
C41C | 0.42926 (16) | 0.5246 (6) | 0.38113 (13) | 0.0277 (18) | |
C42C | 0.40910 (16) | 0.4395 (6) | 0.36673 (13) | 0.0306 (18) | |
H42C | 0.3996 | 0.3760 | 0.3774 | 0.037* | |
C43C | 0.40286 (16) | 0.4471 (6) | 0.33680 (13) | 0.0307 (18) | |
H43C | 0.3890 | 0.3887 | 0.3274 | 0.037* | |
C44C | 0.41643 (17) | 0.5380 (6) | 0.32047 (13) | 0.0327 (19) | |
C45C | 0.43885 (16) | 0.6196 (6) | 0.33476 (13) | 0.0314 (18) | |
H45C | 0.4501 | 0.6796 | 0.3238 | 0.038* | |
C46C | 0.44460 (16) | 0.6128 (6) | 0.36441 (13) | 0.0332 (18) | |
H46C | 0.4594 | 0.6694 | 0.3737 | 0.040* | |
Fe4 | 0.29805 (2) | 0.60912 (9) | 0.051209 (18) | 0.0306 (3) | |
O11D | 0.29247 (11) | 0.8728 (4) | 0.21106 (8) | 0.0334 (12) | |
O12D | 0.24665 (11) | 0.7474 (4) | 0.21609 (8) | 0.0330 (12) | |
C1D | 0.26969 (19) | 0.8031 (6) | 0.20058 (14) | 0.0288 (18) | |
O21D | 0.34253 (11) | 0.6215 (4) | 0.21893 (8) | 0.0333 (12) | |
O22D | 0.29765 (11) | 0.4928 (4) | 0.21829 (8) | 0.0304 (11) | |
C2D | 0.32143 (18) | 0.5535 (6) | 0.20561 (14) | 0.0295 (18) | |
C11D | 0.26720 (16) | 0.7249 (6) | 0.07566 (12) | 0.0279 (18) | |
C12D | 0.24453 (16) | 0.6409 (6) | 0.06099 (13) | 0.037 (2) | |
H12D | 0.2283 | 0.5880 | 0.0701 | 0.044* | |
C13D | 0.25070 (18) | 0.6509 (7) | 0.03058 (13) | 0.042 (2) | |
H13D | 0.2392 | 0.6060 | 0.0158 | 0.050* | |
C14D | 0.27686 (19) | 0.7388 (7) | 0.02590 (15) | 0.049 (2) | |
H14D | 0.2858 | 0.7638 | 0.0075 | 0.058* | |
C15D | 0.28749 (17) | 0.7830 (6) | 0.05317 (13) | 0.037 (2) | |
H15D | 0.3052 | 0.8417 | 0.0562 | 0.045* | |
C21D | 0.33101 (16) | 0.5174 (6) | 0.07992 (13) | 0.0296 (18) | |
C22D | 0.30985 (17) | 0.4407 (6) | 0.06186 (13) | 0.0323 (18) | |
H22D | 0.2929 | 0.3848 | 0.0687 | 0.039* | |
C23D | 0.31836 (18) | 0.4620 (6) | 0.03225 (13) | 0.038 (2) | |
H23D | 0.3081 | 0.4229 | 0.0159 | 0.046* | |
C24D | 0.34437 (18) | 0.5502 (7) | 0.03113 (14) | 0.040 (2) | |
H24D | 0.3552 | 0.5805 | 0.0139 | 0.048* | |
C25D | 0.35211 (16) | 0.5877 (6) | 0.06033 (13) | 0.034 (2) | |
H25D | 0.3683 | 0.6482 | 0.0657 | 0.040* | |
C31D | 0.26793 (16) | 0.7443 (6) | 0.10725 (13) | 0.0273 (18) | |
C32D | 0.28541 (16) | 0.8398 (6) | 0.11907 (14) | 0.0347 (19) | |
H32D | 0.2970 | 0.8934 | 0.1064 | 0.042* | |
C33D | 0.28636 (16) | 0.8593 (6) | 0.14914 (13) | 0.0303 (18) | |
H33D | 0.2989 | 0.9246 | 0.1567 | 0.036* | |
C34D | 0.26879 (16) | 0.7824 (6) | 0.16818 (13) | 0.0240 (17) | |
C35D | 0.25053 (16) | 0.6881 (6) | 0.15648 (13) | 0.0284 (18) | |
H35D | 0.2378 | 0.6367 | 0.1690 | 0.034* | |
C36D | 0.25071 (16) | 0.6683 (6) | 0.12676 (13) | 0.0303 (19) | |
H36D | 0.2389 | 0.6014 | 0.1193 | 0.036* | |
C41D | 0.32949 (16) | 0.5259 (6) | 0.11196 (13) | 0.0271 (18) | |
C42D | 0.34624 (16) | 0.6166 (6) | 0.12678 (13) | 0.0303 (18) | |
H42D | 0.3592 | 0.6736 | 0.1161 | 0.036* | |
C43D | 0.34429 (15) | 0.6249 (6) | 0.15655 (13) | 0.0284 (18) | |
H43D | 0.3561 | 0.6875 | 0.1661 | 0.034* | |
C44D | 0.32530 (15) | 0.5430 (6) | 0.17318 (12) | 0.0249 (18) | |
C45D | 0.30878 (16) | 0.4521 (6) | 0.15850 (12) | 0.0260 (17) | |
H45D | 0.2956 | 0.3959 | 0.1693 | 0.031* | |
C46D | 0.31108 (16) | 0.4415 (6) | 0.12844 (12) | 0.0273 (17) | |
H46D | 0.3002 | 0.3771 | 0.1189 | 0.033* | |
Fe5 | 0.49886 (2) | 0.61113 (10) | 0.053686 (19) | 0.0309 (3) | |
O11E | 0.46165 (11) | 0.8885 (4) | 0.21342 (8) | 0.0366 (12) | |
O12E | 0.41865 (12) | 0.7517 (4) | 0.21288 (8) | 0.0360 (12) | |
C1E | 0.44415 (19) | 0.8086 (7) | 0.20088 (13) | 0.0343 (19) | |
O21E | 0.58504 (11) | 0.6187 (4) | 0.21476 (8) | 0.0362 (12) | |
O22E | 0.54116 (11) | 0.4910 (4) | 0.22328 (9) | 0.0366 (12) | |
C2E | 0.55906 (19) | 0.5565 (6) | 0.20616 (14) | 0.0290 (18) | |
C11E | 0.46835 (17) | 0.7261 (6) | 0.07792 (14) | 0.0344 (19) | |
C12E | 0.44548 (17) | 0.6510 (7) | 0.06043 (15) | 0.044 (2) | |
H12E | 0.4275 | 0.5993 | 0.0677 | 0.053* | |
C13E | 0.45434 (19) | 0.6672 (7) | 0.03086 (14) | 0.048 (2) | |
H13E | 0.4431 | 0.6294 | 0.0148 | 0.058* | |
C14E | 0.4830 (2) | 0.7502 (7) | 0.02922 (14) | 0.047 (2) | |
H14E | 0.4943 | 0.7776 | 0.0119 | 0.056* | |
C15E | 0.49172 (18) | 0.7846 (6) | 0.05781 (14) | 0.039 (2) | |
H15E | 0.5103 | 0.8384 | 0.0629 | 0.047* | |
C21E | 0.53147 (17) | 0.5228 (6) | 0.08230 (13) | 0.0312 (19) | |
C22E | 0.50729 (17) | 0.4450 (6) | 0.06781 (14) | 0.037 (2) | |
H22E | 0.4900 | 0.3954 | 0.0769 | 0.044* | |
C23E | 0.51384 (18) | 0.4551 (7) | 0.03694 (13) | 0.040 (2) | |
H23E | 0.5012 | 0.4142 | 0.0220 | 0.048* | |
C24E | 0.54231 (17) | 0.5364 (6) | 0.03260 (13) | 0.0329 (19) | |
H24E | 0.5526 | 0.5584 | 0.0144 | 0.039* | |
C25E | 0.55283 (16) | 0.5794 (6) | 0.06056 (14) | 0.036 (2) | |
H25E | 0.5710 | 0.6364 | 0.0641 | 0.043* | |
C31E | 0.46569 (16) | 0.7411 (7) | 0.10984 (13) | 0.0309 (19) | |
C32E | 0.48108 (16) | 0.8357 (6) | 0.12384 (13) | 0.0302 (19) | |
H32E | 0.4957 | 0.8881 | 0.1129 | 0.036* | |
C33E | 0.47566 (16) | 0.8556 (6) | 0.15334 (13) | 0.0327 (19) | |
H33E | 0.4868 | 0.9204 | 0.1624 | 0.039* | |
C34E | 0.45390 (17) | 0.7808 (6) | 0.16970 (13) | 0.0286 (18) | |
C35E | 0.44041 (16) | 0.6828 (6) | 0.15590 (13) | 0.0338 (19) | |
H35E | 0.4268 | 0.6281 | 0.1669 | 0.041* | |
C36E | 0.44628 (16) | 0.6633 (6) | 0.12676 (13) | 0.0335 (19) | |
H36E | 0.4369 | 0.5952 | 0.1180 | 0.040* | |
C41E | 0.53488 (16) | 0.5375 (6) | 0.11410 (14) | 0.0283 (18) | |
C42E | 0.55540 (16) | 0.6292 (6) | 0.12583 (13) | 0.0352 (19) | |
H42E | 0.5651 | 0.6862 | 0.1131 | 0.042* | |
C43E | 0.56178 (16) | 0.6383 (6) | 0.15557 (12) | 0.0299 (18) | |
H43E | 0.5754 | 0.7018 | 0.1630 | 0.036* | |
C44E | 0.54831 (17) | 0.5548 (6) | 0.17464 (13) | 0.0275 (18) | |
C45E | 0.52649 (16) | 0.4661 (6) | 0.16362 (12) | 0.0312 (19) | |
H45E | 0.5160 | 0.4109 | 0.1765 | 0.037* | |
C46E | 0.52024 (16) | 0.4589 (6) | 0.13376 (14) | 0.0337 (19) | |
H46E | 0.5054 | 0.3979 | 0.1265 | 0.040* | |
Na1 | 0.56557 (7) | 0.5507 (2) | 0.26833 (5) | 0.0446 (8) | |
Na2 | 0.59757 (6) | 0.7990 (2) | 0.23421 (5) | 0.0345 (7) | |
Na3 | 0.64789 (6) | 0.5527 (2) | 0.23224 (5) | 0.0342 (7) | |
Na4 | 0.68502 (7) | 0.8047 (2) | 0.27071 (5) | 0.0399 (7) | |
Na5 | 0.73300 (6) | 0.5547 (2) | 0.27343 (5) | 0.0326 (7) | |
Na6 | 0.31889 (6) | 0.5543 (2) | 0.26729 (5) | 0.0323 (7) | |
Na7 | 0.26954 (6) | 0.8057 (2) | 0.26451 (5) | 0.0344 (7) | |
Na8 | 0.35452 (6) | 0.8100 (2) | 0.22971 (5) | 0.0342 (7) | |
Na9 | 0.43814 (6) | 0.8106 (2) | 0.26349 (5) | 0.0383 (7) | |
Na10 | 0.40402 (6) | 0.5630 (2) | 0.22727 (5) | 0.0355 (7) | |
O1W | 0.53644 (12) | 0.8610 (5) | 0.22484 (13) | 0.0655 (17) | |
H11 | 0.5268 (18) | 0.798 (4) | 0.2334 (14) | 0.098* | |
H12 | 0.5206 (15) | 0.876 (6) | 0.2101 (11) | 0.098* | |
O2W | 0.49838 (14) | 0.7185 (5) | 0.26506 (13) | 0.0731 (18) | |
H21 | 0.4985 (19) | 0.646 (3) | 0.2581 (17) | 0.110* | |
H22 | 0.5182 (13) | 0.725 (6) | 0.2766 (13) | 0.110* | |
O3W | 0.46836 (14) | 0.5271 (5) | 0.23183 (13) | 0.0743 (19) | |
H31 | 0.467 (2) | 0.455 (3) | 0.2392 (16) | 0.111* | |
H32 | 0.4868 (15) | 0.519 (6) | 0.2187 (13) | 0.111* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1 | 0.0278 (6) | 0.0384 (8) | 0.0279 (5) | 0.0024 (6) | 0.0001 (4) | 0.0008 (5) |
O11A | 0.065 (4) | 0.027 (4) | 0.035 (3) | 0.006 (3) | −0.001 (2) | −0.004 (2) |
O12A | 0.069 (4) | 0.034 (4) | 0.036 (3) | −0.015 (3) | 0.000 (3) | 0.015 (3) |
C1A | 0.053 (5) | 0.031 (6) | 0.035 (5) | 0.012 (5) | 0.006 (4) | 0.003 (4) |
O21A | 0.044 (3) | 0.030 (4) | 0.030 (3) | 0.000 (3) | −0.006 (2) | −0.008 (2) |
O22A | 0.040 (3) | 0.030 (3) | 0.032 (3) | 0.001 (3) | 0.009 (2) | 0.005 (2) |
C2A | 0.039 (5) | 0.024 (5) | 0.026 (4) | 0.010 (4) | 0.001 (4) | 0.004 (4) |
C11A | 0.030 (4) | 0.033 (6) | 0.032 (4) | 0.005 (4) | −0.002 (3) | 0.000 (4) |
C12A | 0.047 (5) | 0.039 (6) | 0.038 (5) | 0.004 (4) | 0.001 (4) | 0.000 (4) |
C13A | 0.053 (5) | 0.061 (7) | 0.027 (4) | 0.020 (5) | 0.008 (4) | −0.010 (4) |
C14A | 0.040 (5) | 0.075 (8) | 0.028 (5) | 0.012 (5) | 0.011 (4) | 0.010 (4) |
C15A | 0.014 (4) | 0.055 (6) | 0.051 (5) | 0.000 (4) | −0.002 (4) | 0.008 (4) |
C21A | 0.027 (4) | 0.031 (5) | 0.028 (4) | 0.001 (4) | −0.001 (3) | −0.003 (4) |
C22A | 0.022 (4) | 0.053 (6) | 0.027 (4) | 0.011 (4) | 0.000 (3) | −0.004 (4) |
C23A | 0.041 (5) | 0.060 (7) | 0.023 (4) | 0.010 (5) | −0.009 (3) | 0.000 (4) |
C24A | 0.037 (5) | 0.040 (6) | 0.035 (4) | 0.013 (4) | 0.002 (3) | 0.006 (4) |
C25A | 0.034 (4) | 0.032 (6) | 0.031 (4) | 0.005 (4) | −0.006 (3) | −0.003 (4) |
C31A | 0.021 (4) | 0.036 (6) | 0.034 (4) | 0.001 (4) | 0.004 (3) | 0.003 (4) |
C32A | 0.031 (4) | 0.037 (6) | 0.041 (5) | −0.010 (4) | 0.000 (4) | −0.002 (4) |
C33A | 0.044 (5) | 0.038 (6) | 0.026 (4) | −0.009 (4) | −0.007 (3) | −0.004 (4) |
C34A | 0.034 (4) | 0.030 (5) | 0.031 (4) | 0.005 (4) | −0.003 (3) | 0.008 (4) |
C35A | 0.035 (4) | 0.037 (6) | 0.039 (5) | −0.003 (4) | −0.007 (4) | 0.002 (4) |
C36A | 0.034 (4) | 0.031 (5) | 0.034 (4) | 0.005 (4) | 0.003 (3) | −0.008 (4) |
C41A | 0.018 (4) | 0.034 (6) | 0.028 (4) | 0.001 (4) | −0.004 (3) | −0.003 (4) |
C42A | 0.026 (4) | 0.018 (5) | 0.040 (4) | −0.002 (3) | 0.007 (3) | 0.011 (4) |
C43A | 0.032 (4) | 0.020 (5) | 0.030 (4) | −0.001 (4) | −0.002 (3) | −0.002 (3) |
C44A | 0.027 (4) | 0.022 (5) | 0.032 (4) | 0.004 (4) | 0.001 (3) | −0.001 (4) |
C45A | 0.028 (4) | 0.033 (5) | 0.026 (4) | 0.000 (4) | 0.008 (3) | 0.006 (4) |
C46A | 0.023 (4) | 0.031 (5) | 0.036 (4) | −0.002 (4) | 0.002 (3) | −0.011 (4) |
Fe2 | 0.0262 (6) | 0.0369 (8) | 0.0264 (5) | 0.0017 (5) | −0.0008 (4) | −0.0007 (5) |
O11B | 0.034 (3) | 0.037 (4) | 0.024 (2) | −0.002 (3) | −0.001 (2) | −0.004 (2) |
O12B | 0.034 (3) | 0.022 (3) | 0.036 (3) | −0.005 (2) | 0.005 (2) | 0.002 (2) |
C1B | 0.035 (5) | 0.016 (5) | 0.032 (4) | 0.008 (4) | −0.002 (4) | −0.006 (4) |
O21B | 0.037 (3) | 0.024 (3) | 0.031 (2) | −0.005 (2) | −0.005 (2) | 0.000 (2) |
O22B | 0.030 (3) | 0.028 (3) | 0.034 (3) | −0.003 (2) | 0.006 (2) | −0.001 (2) |
C2B | 0.033 (5) | 0.030 (6) | 0.033 (4) | 0.012 (4) | −0.002 (4) | −0.006 (4) |
C11B | 0.025 (4) | 0.035 (5) | 0.023 (4) | 0.008 (4) | −0.001 (3) | 0.001 (4) |
C12B | 0.022 (4) | 0.052 (6) | 0.042 (5) | 0.006 (4) | −0.001 (3) | −0.001 (4) |
C13B | 0.041 (5) | 0.061 (7) | 0.022 (4) | 0.021 (4) | −0.004 (3) | −0.007 (4) |
C14B | 0.042 (5) | 0.054 (6) | 0.029 (4) | 0.016 (5) | −0.005 (4) | 0.009 (4) |
C15B | 0.041 (5) | 0.036 (6) | 0.033 (4) | 0.010 (4) | −0.005 (4) | 0.005 (4) |
C21B | 0.016 (4) | 0.039 (5) | 0.029 (4) | 0.007 (4) | 0.002 (3) | 0.001 (4) |
C22B | 0.040 (5) | 0.036 (6) | 0.026 (4) | 0.011 (4) | 0.001 (3) | 0.010 (4) |
C23B | 0.056 (5) | 0.036 (6) | 0.030 (4) | 0.009 (4) | −0.004 (4) | −0.008 (4) |
C24B | 0.043 (5) | 0.050 (6) | 0.024 (4) | 0.010 (4) | 0.007 (3) | −0.002 (4) |
C25B | 0.025 (4) | 0.044 (6) | 0.032 (4) | 0.008 (4) | 0.001 (3) | −0.001 (4) |
C31B | 0.025 (4) | 0.035 (6) | 0.027 (4) | −0.001 (4) | −0.005 (3) | −0.002 (4) |
C32B | 0.029 (4) | 0.036 (6) | 0.024 (4) | −0.001 (4) | 0.007 (3) | 0.006 (3) |
C33B | 0.022 (4) | 0.019 (5) | 0.037 (4) | −0.007 (3) | 0.001 (3) | −0.011 (3) |
C34B | 0.024 (4) | 0.027 (5) | 0.035 (4) | 0.003 (4) | 0.005 (3) | −0.005 (4) |
C35B | 0.031 (4) | 0.035 (6) | 0.024 (4) | −0.002 (4) | −0.002 (3) | 0.003 (4) |
C36B | 0.023 (4) | 0.026 (5) | 0.040 (4) | −0.002 (4) | 0.000 (3) | 0.006 (4) |
C41B | 0.025 (4) | 0.029 (5) | 0.025 (4) | 0.006 (4) | −0.004 (3) | −0.005 (4) |
C42B | 0.022 (4) | 0.035 (5) | 0.031 (4) | −0.005 (4) | 0.001 (3) | 0.006 (4) |
C43B | 0.025 (4) | 0.027 (5) | 0.035 (4) | −0.003 (3) | −0.006 (3) | −0.008 (4) |
C44B | 0.020 (4) | 0.019 (5) | 0.031 (4) | 0.003 (3) | −0.003 (3) | 0.003 (4) |
C45B | 0.020 (4) | 0.031 (5) | 0.025 (4) | −0.001 (4) | 0.001 (3) | 0.004 (4) |
C46B | 0.032 (4) | 0.027 (5) | 0.025 (4) | −0.001 (4) | −0.003 (3) | 0.000 (4) |
Fe3 | 0.0268 (6) | 0.0424 (8) | 0.0289 (6) | 0.0062 (6) | −0.0018 (4) | −0.0011 (5) |
O11C | 0.028 (3) | 0.032 (3) | 0.036 (3) | 0.005 (2) | −0.004 (2) | −0.004 (2) |
O12C | 0.028 (3) | 0.033 (3) | 0.036 (3) | 0.002 (3) | 0.008 (2) | 0.002 (2) |
C1C | 0.032 (5) | 0.024 (5) | 0.036 (4) | 0.005 (4) | 0.002 (4) | 0.005 (4) |
O21C | 0.037 (3) | 0.032 (4) | 0.037 (3) | 0.002 (3) | −0.005 (2) | −0.010 (2) |
O22C | 0.066 (4) | 0.029 (4) | 0.035 (3) | −0.005 (3) | 0.007 (2) | 0.003 (3) |
C2C | 0.038 (5) | 0.017 (5) | 0.034 (4) | 0.010 (4) | 0.002 (4) | −0.004 (4) |
C11C | 0.030 (4) | 0.032 (5) | 0.033 (4) | 0.010 (4) | 0.003 (4) | 0.004 (4) |
C12C | 0.043 (5) | 0.046 (6) | 0.041 (5) | 0.009 (4) | 0.000 (4) | −0.005 (4) |
C13C | 0.058 (6) | 0.056 (7) | 0.032 (5) | 0.022 (5) | 0.004 (4) | −0.008 (4) |
C14C | 0.033 (5) | 0.081 (8) | 0.032 (5) | 0.029 (5) | 0.015 (4) | 0.009 (4) |
C15C | 0.027 (4) | 0.058 (7) | 0.038 (5) | 0.012 (4) | 0.001 (4) | −0.005 (4) |
C21C | 0.027 (4) | 0.040 (6) | 0.029 (4) | 0.007 (4) | −0.005 (3) | 0.008 (4) |
C22C | 0.029 (4) | 0.055 (6) | 0.035 (4) | 0.005 (4) | −0.002 (3) | −0.001 (4) |
C23C | 0.027 (4) | 0.068 (7) | 0.028 (4) | 0.012 (4) | −0.008 (3) | −0.009 (4) |
C24C | 0.053 (6) | 0.065 (7) | 0.020 (4) | 0.014 (5) | 0.003 (4) | 0.002 (4) |
C25C | 0.037 (4) | 0.025 (5) | 0.040 (4) | 0.007 (4) | 0.010 (4) | 0.009 (4) |
C31C | 0.023 (4) | 0.045 (6) | 0.029 (4) | 0.011 (4) | 0.000 (3) | 0.001 (4) |
C32C | 0.030 (4) | 0.041 (6) | 0.029 (4) | 0.003 (4) | 0.002 (3) | 0.005 (4) |
C33C | 0.026 (4) | 0.018 (5) | 0.045 (5) | −0.007 (4) | 0.003 (3) | 0.000 (4) |
C34C | 0.022 (4) | 0.030 (5) | 0.028 (4) | 0.003 (4) | 0.004 (3) | −0.003 (4) |
C35C | 0.035 (4) | 0.035 (6) | 0.028 (4) | 0.003 (4) | −0.002 (3) | 0.003 (4) |
C36C | 0.029 (4) | 0.024 (5) | 0.038 (4) | −0.003 (4) | −0.006 (3) | −0.008 (4) |
C41C | 0.020 (4) | 0.028 (5) | 0.035 (4) | 0.005 (4) | 0.000 (3) | 0.004 (4) |
C42C | 0.030 (4) | 0.025 (5) | 0.036 (4) | 0.000 (4) | 0.004 (3) | 0.008 (4) |
C43C | 0.028 (4) | 0.029 (5) | 0.034 (4) | 0.000 (4) | −0.007 (3) | −0.002 (4) |
C44C | 0.033 (4) | 0.033 (6) | 0.032 (4) | 0.014 (4) | 0.006 (3) | −0.002 (4) |
C45C | 0.034 (4) | 0.026 (5) | 0.034 (4) | −0.006 (4) | 0.003 (3) | −0.004 (4) |
C46C | 0.033 (4) | 0.036 (5) | 0.030 (4) | −0.005 (4) | −0.003 (3) | −0.005 (4) |
Fe4 | 0.0285 (6) | 0.0371 (8) | 0.0262 (5) | 0.0033 (6) | 0.0001 (5) | −0.0001 (5) |
O11D | 0.039 (3) | 0.031 (3) | 0.030 (3) | −0.003 (3) | −0.004 (2) | 0.000 (2) |
O12D | 0.040 (3) | 0.026 (3) | 0.033 (3) | −0.002 (2) | 0.003 (2) | −0.002 (2) |
C1D | 0.027 (4) | 0.016 (5) | 0.043 (5) | 0.008 (4) | −0.001 (4) | −0.006 (4) |
O21D | 0.035 (3) | 0.034 (4) | 0.031 (3) | −0.004 (3) | −0.006 (2) | −0.006 (2) |
O22D | 0.033 (3) | 0.029 (3) | 0.030 (2) | −0.002 (2) | 0.004 (2) | 0.007 (2) |
C2D | 0.026 (4) | 0.022 (5) | 0.040 (5) | 0.009 (4) | 0.000 (4) | 0.000 (4) |
C11D | 0.030 (4) | 0.034 (5) | 0.020 (4) | 0.002 (4) | −0.008 (3) | −0.006 (4) |
C12D | 0.025 (4) | 0.058 (6) | 0.026 (4) | 0.012 (4) | 0.001 (3) | −0.004 (4) |
C13D | 0.037 (5) | 0.054 (7) | 0.035 (5) | 0.022 (4) | −0.009 (4) | −0.005 (4) |
C14D | 0.058 (6) | 0.053 (7) | 0.035 (5) | 0.015 (5) | 0.005 (4) | 0.011 (4) |
C15D | 0.044 (5) | 0.038 (6) | 0.029 (4) | 0.000 (4) | 0.001 (4) | 0.004 (4) |
C21D | 0.026 (4) | 0.028 (5) | 0.035 (4) | 0.007 (4) | 0.006 (3) | 0.000 (4) |
C22D | 0.035 (4) | 0.029 (5) | 0.032 (4) | −0.003 (4) | −0.007 (3) | −0.004 (4) |
C23D | 0.042 (5) | 0.049 (6) | 0.023 (4) | 0.017 (4) | 0.001 (3) | −0.005 (4) |
C24D | 0.035 (5) | 0.053 (6) | 0.032 (5) | 0.000 (4) | 0.008 (3) | 0.001 (4) |
C25D | 0.017 (4) | 0.048 (6) | 0.036 (4) | 0.003 (4) | −0.002 (3) | 0.007 (4) |
C31D | 0.015 (4) | 0.033 (6) | 0.033 (4) | 0.003 (4) | −0.004 (3) | 0.002 (4) |
C32D | 0.033 (4) | 0.029 (6) | 0.043 (5) | 0.000 (4) | 0.009 (3) | −0.002 (4) |
C33D | 0.025 (4) | 0.029 (5) | 0.037 (4) | −0.002 (4) | −0.001 (3) | −0.001 (4) |
C34D | 0.018 (4) | 0.026 (5) | 0.028 (4) | 0.008 (4) | 0.001 (3) | 0.000 (4) |
C35D | 0.030 (4) | 0.030 (6) | 0.025 (4) | 0.001 (4) | −0.001 (3) | −0.002 (4) |
C36D | 0.020 (4) | 0.028 (6) | 0.043 (4) | 0.003 (4) | −0.005 (3) | −0.007 (4) |
C41D | 0.018 (4) | 0.034 (6) | 0.029 (4) | 0.008 (4) | −0.003 (3) | −0.007 (4) |
C42D | 0.026 (4) | 0.039 (6) | 0.026 (4) | −0.007 (4) | −0.003 (3) | 0.007 (4) |
C43D | 0.023 (4) | 0.026 (5) | 0.036 (4) | 0.004 (4) | −0.006 (3) | −0.001 (4) |
C44D | 0.015 (4) | 0.036 (6) | 0.023 (4) | 0.008 (4) | −0.002 (3) | 0.004 (4) |
C45D | 0.035 (4) | 0.026 (5) | 0.016 (4) | 0.000 (4) | −0.001 (3) | 0.001 (3) |
C46D | 0.029 (4) | 0.019 (5) | 0.034 (4) | −0.004 (3) | 0.000 (3) | 0.001 (3) |
Fe5 | 0.0239 (6) | 0.0409 (8) | 0.0280 (6) | 0.0033 (5) | −0.0007 (4) | −0.0023 (6) |
O11E | 0.033 (3) | 0.042 (4) | 0.036 (3) | −0.002 (3) | −0.003 (2) | −0.015 (3) |
O12E | 0.044 (3) | 0.027 (3) | 0.037 (3) | 0.003 (3) | 0.007 (2) | 0.003 (2) |
C1E | 0.036 (5) | 0.036 (6) | 0.030 (4) | 0.005 (4) | −0.003 (4) | 0.004 (4) |
O21E | 0.029 (3) | 0.045 (4) | 0.035 (3) | −0.001 (3) | −0.006 (2) | 0.000 (2) |
O22E | 0.038 (3) | 0.035 (4) | 0.036 (3) | 0.009 (3) | 0.003 (2) | 0.003 (3) |
C2E | 0.035 (5) | 0.017 (5) | 0.035 (4) | 0.004 (4) | 0.000 (4) | 0.002 (4) |
C11E | 0.033 (5) | 0.038 (6) | 0.032 (4) | 0.012 (4) | −0.002 (4) | 0.003 (4) |
C12E | 0.026 (4) | 0.059 (7) | 0.046 (5) | 0.012 (4) | −0.001 (4) | −0.008 (4) |
C13E | 0.036 (5) | 0.083 (8) | 0.026 (4) | 0.024 (5) | −0.009 (4) | −0.006 (4) |
C14E | 0.055 (6) | 0.055 (7) | 0.030 (5) | 0.019 (5) | 0.006 (4) | 0.013 (4) |
C15E | 0.050 (5) | 0.028 (6) | 0.039 (5) | 0.006 (4) | 0.006 (4) | 0.009 (4) |
C21E | 0.024 (4) | 0.044 (6) | 0.025 (4) | 0.003 (4) | −0.004 (3) | −0.009 (4) |
C22E | 0.040 (5) | 0.026 (6) | 0.044 (5) | 0.006 (4) | −0.002 (4) | 0.001 (4) |
C23E | 0.038 (5) | 0.049 (6) | 0.032 (5) | 0.008 (4) | −0.002 (4) | −0.015 (4) |
C24E | 0.025 (4) | 0.043 (6) | 0.031 (4) | 0.014 (4) | 0.006 (3) | 0.002 (4) |
C25E | 0.016 (4) | 0.053 (6) | 0.037 (4) | 0.001 (4) | 0.000 (3) | −0.001 (4) |
C31E | 0.021 (4) | 0.042 (6) | 0.029 (4) | 0.001 (4) | 0.005 (3) | −0.004 (4) |
C32E | 0.028 (4) | 0.035 (6) | 0.027 (4) | −0.005 (4) | 0.009 (3) | 0.002 (4) |
C33E | 0.028 (4) | 0.035 (6) | 0.035 (4) | −0.004 (4) | 0.003 (3) | −0.006 (4) |
C34E | 0.026 (4) | 0.033 (6) | 0.027 (4) | 0.004 (4) | 0.003 (3) | 0.001 (4) |
C35E | 0.037 (5) | 0.031 (6) | 0.034 (4) | −0.001 (4) | 0.006 (3) | 0.001 (4) |
C36E | 0.034 (4) | 0.041 (6) | 0.026 (4) | −0.004 (4) | 0.008 (3) | −0.009 (4) |
C41E | 0.013 (4) | 0.031 (5) | 0.041 (4) | 0.002 (4) | −0.003 (3) | 0.006 (4) |
C42E | 0.029 (4) | 0.036 (6) | 0.041 (4) | −0.004 (4) | −0.002 (3) | 0.013 (4) |
C43E | 0.038 (4) | 0.026 (5) | 0.026 (4) | −0.007 (4) | −0.008 (3) | −0.003 (3) |
C44E | 0.031 (4) | 0.021 (5) | 0.031 (4) | −0.001 (4) | −0.002 (3) | 0.000 (4) |
C45E | 0.032 (4) | 0.039 (6) | 0.023 (4) | −0.001 (4) | 0.001 (3) | 0.001 (4) |
C46E | 0.027 (4) | 0.028 (5) | 0.046 (5) | −0.003 (4) | −0.005 (4) | −0.003 (4) |
Na1 | 0.0569 (19) | 0.040 (2) | 0.0369 (15) | −0.0111 (16) | −0.0079 (13) | 0.0049 (14) |
Na2 | 0.0335 (16) | 0.0299 (19) | 0.0400 (15) | −0.0002 (13) | 0.0007 (12) | −0.0001 (13) |
Na3 | 0.0389 (16) | 0.0297 (19) | 0.0338 (15) | −0.0042 (13) | 0.0015 (12) | −0.0027 (13) |
Na4 | 0.0517 (17) | 0.034 (2) | 0.0342 (14) | −0.0062 (15) | −0.0089 (13) | 0.0044 (13) |
Na5 | 0.0383 (16) | 0.0259 (18) | 0.0336 (14) | −0.0009 (13) | −0.0003 (12) | 0.0014 (13) |
Na6 | 0.0351 (16) | 0.0300 (19) | 0.0319 (14) | 0.0017 (13) | −0.0001 (12) | 0.0002 (13) |
Na7 | 0.0386 (16) | 0.0286 (19) | 0.0359 (15) | −0.0021 (14) | −0.0018 (13) | −0.0020 (13) |
Na8 | 0.0377 (16) | 0.0285 (19) | 0.0363 (15) | −0.0037 (13) | −0.0019 (12) | −0.0010 (13) |
Na9 | 0.0375 (16) | 0.039 (2) | 0.0386 (15) | −0.0066 (14) | 0.0035 (12) | −0.0052 (14) |
Na10 | 0.0361 (16) | 0.0322 (19) | 0.0382 (15) | 0.0004 (13) | −0.0010 (12) | −0.0010 (13) |
O1W | 0.036 (3) | 0.065 (5) | 0.096 (5) | −0.006 (3) | −0.011 (3) | 0.003 (4) |
O2W | 0.043 (3) | 0.092 (6) | 0.084 (5) | −0.002 (4) | −0.011 (3) | −0.018 (4) |
O3W | 0.044 (4) | 0.084 (5) | 0.095 (5) | 0.025 (4) | 0.016 (3) | 0.029 (4) |
Fe1—C22A | 2.025 (6) | C35C—H35C | 0.9500 |
Fe1—C14A | 2.034 (6) | C36C—H36C | 0.9500 |
Fe1—C23A | 2.034 (6) | C41C—C46C | 1.394 (8) |
Fe1—C15A | 2.037 (6) | C41C—C42C | 1.396 (8) |
Fe1—C13A | 2.047 (7) | C42C—C43C | 1.393 (7) |
Fe1—C21A | 2.048 (6) | C42C—H42C | 0.9500 |
Fe1—C12A | 2.050 (7) | C43C—C44C | 1.383 (8) |
Fe1—C24A | 2.057 (7) | C43C—H43C | 0.9500 |
Fe1—C25A | 2.062 (7) | C44C—C45C | 1.411 (8) |
Fe1—C11A | 2.066 (6) | C45C—C46C | 1.376 (7) |
O11A—C1A | 1.279 (8) | C45C—H45C | 0.9500 |
O11A—Na1 | 2.226 (5) | C46C—H46C | 0.9500 |
O11A—Na2 | 2.438 (5) | Fe4—C13D | 2.026 (6) |
O12A—C1A | 1.243 (8) | Fe4—C25D | 2.029 (6) |
O12A—Na10i | 2.352 (5) | Fe4—C12D | 2.034 (6) |
O12A—Na2 | 2.815 (5) | Fe4—C24D | 2.040 (6) |
O12A—Na4 | 2.979 (5) | Fe4—C14D | 2.050 (7) |
C1A—C34A | 1.509 (8) | Fe4—C23D | 2.053 (7) |
C1A—Na2 | 2.981 (7) | Fe4—C15D | 2.055 (7) |
O21A—C2A | 1.270 (7) | Fe4—C22D | 2.059 (7) |
O21A—Na8ii | 2.332 (5) | Fe4—C21D | 2.074 (6) |
O21A—Na1 | 2.349 (5) | Fe4—C11D | 2.079 (6) |
O21A—Na3 | 2.368 (4) | O11D—C1D | 1.254 (7) |
O22A—C2A | 1.270 (7) | O11D—Na5i | 2.412 (5) |
O22A—Na4 | 2.246 (5) | O11D—Na8 | 2.525 (5) |
O22A—Na5 | 2.446 (5) | O11D—Na7 | 2.701 (4) |
O22A—Na3 | 2.719 (4) | O12D—C1D | 1.275 (7) |
C2A—C44A | 1.491 (8) | O12D—Na5iv | 2.339 (5) |
C2A—Na3 | 2.903 (6) | O12D—Na4iv | 2.419 (5) |
C2A—Na8ii | 3.116 (7) | O12D—Na7 | 2.464 (4) |
C11A—C12A | 1.424 (8) | C1D—C34D | 1.503 (8) |
C11A—C15A | 1.445 (8) | C1D—Na7 | 2.929 (7) |
C11A—C31A | 1.497 (8) | O21D—C2D | 1.259 (7) |
C12A—C13A | 1.400 (8) | O21D—Na8 | 2.284 (5) |
C12A—H12A | 0.9500 | O21D—Na10 | 2.372 (5) |
C13A—C14A | 1.419 (9) | O21D—Na6 | 2.501 (4) |
C13A—H13A | 0.9500 | O22D—C2D | 1.258 (7) |
C14A—C15A | 1.419 (8) | O22D—Na4ii | 2.326 (5) |
C14A—H14A | 0.9500 | O22D—Na6 | 2.479 (4) |
C15A—H15A | 0.9500 | O22D—Na5iv | 2.492 (5) |
C21A—C22A | 1.413 (8) | C2D—C44D | 1.497 (8) |
C21A—C25A | 1.437 (8) | C2D—Na6 | 2.827 (7) |
C21A—C41A | 1.460 (8) | C2D—Na4ii | 3.091 (7) |
C22A—C23A | 1.424 (8) | C11D—C15D | 1.436 (8) |
C22A—H22A | 0.9500 | C11D—C12D | 1.444 (8) |
C23A—C24A | 1.433 (9) | C11D—C31D | 1.464 (8) |
C23A—H23A | 0.9500 | C12D—C13D | 1.415 (7) |
C24A—C25A | 1.435 (7) | C12D—H12D | 0.9500 |
C24A—H24A | 0.9500 | C13D—C14D | 1.412 (9) |
C25A—H25A | 0.9500 | C13D—H13D | 0.9500 |
C31A—C36A | 1.386 (8) | C14D—C15D | 1.405 (8) |
C31A—C32A | 1.401 (8) | C14D—H14D | 0.9500 |
C32A—C33A | 1.379 (7) | C15D—H15D | 0.9500 |
C32A—H32A | 0.9500 | C21D—C25D | 1.436 (8) |
C33A—C34A | 1.400 (8) | C21D—C22D | 1.439 (8) |
C33A—H33A | 0.9500 | C21D—C41D | 1.472 (8) |
C34A—C35A | 1.390 (8) | C22D—C23D | 1.413 (7) |
C35A—C36A | 1.388 (8) | C22D—H22D | 0.9500 |
C35A—H35A | 0.9500 | C23D—C24D | 1.396 (9) |
C36A—H36A | 0.9500 | C23D—H23D | 0.9500 |
C41A—C46A | 1.386 (8) | C24D—C25D | 1.435 (8) |
C41A—C42A | 1.411 (8) | C24D—H24D | 0.9500 |
C42A—C43A | 1.381 (7) | C25D—H25D | 0.9500 |
C42A—H42A | 0.9500 | C31D—C32D | 1.388 (8) |
C43A—C44A | 1.394 (8) | C31D—C36D | 1.404 (8) |
C43A—H43A | 0.9500 | C32D—C33D | 1.396 (7) |
C44A—C45A | 1.378 (8) | C32D—H32D | 0.9500 |
C45A—C46A | 1.383 (7) | C33D—C34D | 1.402 (8) |
C45A—H45A | 0.9500 | C33D—H33D | 0.9500 |
C46A—H46A | 0.9500 | C34D—C35D | 1.388 (8) |
Fe2—C23B | 2.031 (7) | C35D—C36D | 1.381 (7) |
Fe2—C25B | 2.036 (6) | C35D—H35D | 0.9500 |
Fe2—C12B | 2.040 (6) | C36D—H36D | 0.9500 |
Fe2—C22B | 2.043 (7) | C41D—C42D | 1.393 (8) |
Fe2—C24B | 2.043 (6) | C41D—C46D | 1.407 (8) |
Fe2—C13B | 2.053 (6) | C42D—C43D | 1.368 (7) |
Fe2—C14B | 2.057 (7) | C42D—H42D | 0.9500 |
Fe2—C15B | 2.058 (7) | C43D—C44D | 1.401 (8) |
Fe2—C21B | 2.068 (6) | C43D—H43D | 0.9500 |
Fe2—C11B | 2.076 (6) | C44D—C45D | 1.388 (8) |
O11B—C1B | 1.262 (7) | C45D—C46D | 1.385 (7) |
O11B—Na6i | 2.406 (5) | C45D—H45D | 0.9500 |
O11B—Na7iii | 2.594 (4) | C46D—H46D | 0.9500 |
O11B—Na4 | 2.665 (4) | Fe5—C12E | 2.023 (6) |
O12B—C1B | 1.269 (7) | Fe5—C25E | 2.025 (6) |
O12B—Na3 | 2.302 (5) | Fe5—C13E | 2.037 (6) |
O12B—Na2 | 2.397 (4) | Fe5—C15E | 2.038 (7) |
O12B—Na4 | 2.404 (4) | Fe5—C23E | 2.040 (7) |
C1B—C34B | 1.504 (8) | Fe5—C21E | 2.044 (6) |
C1B—Na4 | 2.870 (6) | Fe5—C24E | 2.047 (6) |
O21B—C2B | 1.245 (7) | Fe5—C14E | 2.048 (7) |
O21B—Na7iii | 2.278 (5) | Fe5—C22E | 2.056 (7) |
O21B—Na6iii | 2.432 (5) | Fe5—C11E | 2.061 (7) |
O21B—Na5 | 2.549 (4) | O11E—C1E | 1.263 (7) |
O22B—C2B | 1.273 (7) | O11E—Na1i | 2.285 (5) |
O22B—Na7ii | 2.345 (5) | O11E—Na9 | 2.610 (5) |
O22B—Na3 | 2.402 (5) | O12E—C1E | 1.266 (7) |
O22B—Na5 | 2.433 (4) | O12E—Na10 | 2.347 (5) |
C2B—C44B | 1.497 (8) | O12E—Na9 | 2.519 (4) |
C2B—Na5 | 2.829 (6) | O12E—Na8 | 2.552 (5) |
C2B—Na7ii | 3.090 (8) | C1E—C34E | 1.506 (8) |
C11B—C15B | 1.434 (8) | C1E—Na9 | 2.876 (6) |
C11B—C12B | 1.441 (8) | O21E—C2E | 1.254 (7) |
C11B—C31B | 1.451 (8) | O21E—Na2 | 2.318 (5) |
C12B—C13B | 1.429 (8) | O21E—Na3 | 2.544 (5) |
C12B—H12B | 0.9500 | O21E—Na1 | 2.673 (4) |
C13B—C14B | 1.430 (9) | O22E—C2E | 1.272 (7) |
C13B—H13B | 0.9500 | O22E—Na9ii | 2.305 (5) |
C14B—C15B | 1.402 (8) | O22E—Na1 | 2.351 (5) |
C14B—H14B | 0.9500 | C2E—C44E | 1.496 (8) |
C15B—H15B | 0.9500 | C2E—Na1 | 2.858 (7) |
C21B—C22B | 1.433 (8) | C11E—C15E | 1.426 (8) |
C21B—C25B | 1.441 (8) | C11E—C12E | 1.447 (8) |
C21B—C41B | 1.460 (7) | C11E—C31E | 1.476 (8) |
C22B—C23B | 1.413 (7) | C12E—C13E | 1.405 (8) |
C22B—H22B | 0.9500 | C12E—H12E | 0.9500 |
C23B—C24B | 1.403 (9) | C13E—C14E | 1.423 (9) |
C23B—H23B | 0.9500 | C13E—H13E | 0.9500 |
C24B—C25B | 1.432 (7) | C14E—C15E | 1.405 (8) |
C24B—H24B | 0.9500 | C14E—H14E | 0.9500 |
C25B—H25B | 0.9500 | C15E—H15E | 0.9500 |
C31B—C32B | 1.395 (8) | C21E—C25E | 1.424 (8) |
C31B—C36B | 1.416 (8) | C21E—C22E | 1.425 (8) |
C32B—C33B | 1.383 (7) | C21E—C41E | 1.472 (8) |
C32B—H32B | 0.9500 | C22E—C23E | 1.438 (8) |
C33B—C34B | 1.387 (8) | C22E—H22E | 0.9500 |
C33B—H33B | 0.9500 | C23E—C24E | 1.416 (8) |
C34B—C35B | 1.409 (8) | C23E—H23E | 0.9500 |
C35B—C36B | 1.370 (7) | C24E—C25E | 1.427 (8) |
C35B—H35B | 0.9500 | C24E—H24E | 0.9500 |
C36B—H36B | 0.9500 | C25E—H25E | 0.9500 |
C41B—C46B | 1.404 (8) | C31E—C36E | 1.384 (8) |
C41B—C42B | 1.406 (8) | C31E—C32E | 1.389 (8) |
C42B—C43B | 1.382 (7) | C32E—C33E | 1.385 (7) |
C42B—H42B | 0.9500 | C32E—H32E | 0.9500 |
C43B—C44B | 1.414 (8) | C33E—C34E | 1.394 (8) |
C43B—H43B | 0.9500 | C33E—H33E | 0.9500 |
C44B—C45B | 1.403 (8) | C34E—C35E | 1.391 (8) |
C45B—C46B | 1.386 (7) | C35E—C36E | 1.370 (7) |
C45B—H45B | 0.9500 | C35E—H35E | 0.9500 |
C46B—H46B | 0.9500 | C36E—H36E | 0.9500 |
Fe3—C23C | 2.026 (6) | C41E—C46E | 1.388 (8) |
Fe3—C15C | 2.029 (6) | C41E—C42E | 1.407 (8) |
Fe3—C22C | 2.032 (6) | C42E—C43E | 1.386 (7) |
Fe3—C13C | 2.045 (7) | C42E—H42E | 0.9500 |
Fe3—C24C | 2.049 (7) | C43E—C44E | 1.394 (8) |
Fe3—C14C | 2.053 (6) | C43E—H43E | 0.9500 |
Fe3—C25C | 2.058 (7) | C44E—C45E | 1.395 (8) |
Fe3—C12C | 2.058 (7) | C45E—C46E | 1.389 (7) |
Fe3—C21C | 2.064 (6) | C45E—H45E | 0.9500 |
Fe3—C11C | 2.084 (6) | C46E—H46E | 0.9500 |
O11C—C1C | 1.262 (7) | Na1—O11Eii | 2.285 (5) |
O11C—Na6 | 2.339 (5) | Na1—Na9ii | 3.146 (4) |
O11C—Na7 | 2.422 (4) | Na1—Na3 | 3.425 (3) |
O11C—Na8 | 2.528 (4) | Na1—Na2 | 3.478 (4) |
O12C—C1C | 1.270 (7) | Na2—O21Ci | 2.339 (5) |
O12C—Na3i | 2.355 (5) | Na2—O1W | 2.380 (5) |
O12C—Na9 | 2.472 (4) | Na2—Na3 | 3.396 (4) |
O12C—Na8 | 2.570 (4) | Na3—O12Cii | 2.355 (5) |
C1C—C34C | 1.504 (8) | Na3—Na8ii | 3.313 (3) |
C1C—Na8 | 2.891 (6) | Na4—O22Di | 2.326 (5) |
O21C—C2C | 1.264 (7) | Na4—O12Diii | 2.419 (5) |
O21C—Na2ii | 2.339 (5) | Na4—C2Di | 3.091 (7) |
O21C—Na6 | 2.502 (5) | Na4—Na6i | 3.381 (3) |
O21C—Na10 | 2.623 (5) | Na4—Na5 | 3.389 (4) |
O22C—C2C | 1.260 (7) | Na4—Na7iii | 3.477 (3) |
O22C—Na9 | 2.201 (5) | Na5—O12Diii | 2.339 (5) |
O22C—Na10 | 2.415 (5) | Na5—O11Dii | 2.412 (5) |
C2C—C44C | 1.505 (8) | Na5—O22Diii | 2.492 (5) |
C2C—Na10 | 2.832 (7) | Na5—Na7ii | 3.373 (3) |
C11C—C12C | 1.436 (8) | Na6—O11Bii | 2.406 (5) |
C11C—C15C | 1.444 (8) | Na6—O21Biv | 2.432 (5) |
C11C—C31C | 1.477 (8) | Na6—Na4ii | 3.381 (3) |
C12C—C13C | 1.400 (8) | Na6—Na7 | 3.428 (4) |
C12C—H12C | 0.9500 | Na7—O21Biv | 2.278 (5) |
C13C—C14C | 1.424 (9) | Na7—O22Bi | 2.345 (5) |
C13C—H13C | 0.9500 | Na7—O11Biv | 2.594 (4) |
C14C—C15C | 1.428 (8) | Na7—C2Bi | 3.090 (8) |
C14C—H14C | 0.9500 | Na7—Na5i | 3.373 (3) |
C15C—H15C | 0.9500 | Na7—Na4iv | 3.477 (3) |
C21C—C22C | 1.432 (8) | Na7—Na8 | 3.483 (3) |
C21C—C25C | 1.442 (8) | Na8—O21Ai | 2.332 (5) |
C21C—C41C | 1.485 (8) | Na8—C2Ai | 3.116 (7) |
C22C—C23C | 1.432 (8) | Na8—Na3i | 3.313 (3) |
C22C—H22C | 0.9500 | Na8—Na10 | 3.388 (4) |
C23C—C24C | 1.407 (9) | Na8—Na9 | 3.417 (3) |
C23C—H23C | 0.9500 | Na9—O22Ei | 2.305 (5) |
C24C—C25C | 1.402 (8) | Na9—O2W | 2.442 (5) |
C24C—H24C | 0.9500 | Na9—Na1i | 3.146 (4) |
C25C—H25C | 0.9500 | Na10—O12Aii | 2.352 (5) |
C31C—C36C | 1.386 (8) | Na10—O3W | 2.390 (5) |
C31C—C32C | 1.413 (8) | O1W—H11 | 0.90 (5) |
C32C—C33C | 1.363 (7) | O1W—H12 | 0.91 (5) |
C32C—H32C | 0.9500 | O2W—H21 | 0.90 (5) |
C33C—C34C | 1.390 (8) | O2W—H22 | 0.90 (5) |
C33C—H33C | 0.9500 | O3W—H31 | 0.90 (5) |
C34C—C35C | 1.400 (8) | O3W—H32 | 0.91 (6) |
C35C—C36C | 1.392 (7) | ||
C22A—Fe1—C14A | 161.6 (3) | C1E—O11E—Na9 | 88.8 (4) |
C22A—Fe1—C23A | 41.1 (2) | Na1i—O11E—Na9 | 79.69 (14) |
C14A—Fe1—C23A | 123.4 (3) | C1E—O12E—Na10 | 140.8 (4) |
C22A—Fe1—C15A | 156.9 (3) | C1E—O12E—Na9 | 92.9 (4) |
C14A—Fe1—C15A | 40.8 (2) | Na10—O12E—Na9 | 93.37 (16) |
C23A—Fe1—C15A | 160.2 (3) | C1E—O12E—Na8 | 131.7 (4) |
C22A—Fe1—C13A | 125.7 (3) | Na10—O12E—Na8 | 87.40 (16) |
C14A—Fe1—C13A | 40.7 (3) | Na9—O12E—Na8 | 84.74 (14) |
C23A—Fe1—C13A | 107.5 (3) | O11E—C1E—O12E | 123.8 (6) |
C15A—Fe1—C13A | 68.2 (3) | O11E—C1E—C34E | 118.0 (6) |
C22A—Fe1—C21A | 40.6 (2) | O12E—C1E—C34E | 118.3 (6) |
C14A—Fe1—C21A | 155.6 (3) | O11E—C1E—Na9 | 65.1 (3) |
C23A—Fe1—C21A | 69.1 (2) | O12E—C1E—Na9 | 61.0 (3) |
C15A—Fe1—C21A | 120.9 (3) | C34E—C1E—Na9 | 164.8 (5) |
C13A—Fe1—C21A | 162.4 (3) | C2E—O21E—Na2 | 142.1 (4) |
C22A—Fe1—C12A | 109.2 (3) | C2E—O21E—Na3 | 127.2 (4) |
C14A—Fe1—C12A | 68.3 (3) | Na2—O21E—Na3 | 88.48 (16) |
C23A—Fe1—C12A | 121.5 (3) | C2E—O21E—Na1 | 85.3 (4) |
C15A—Fe1—C12A | 68.4 (3) | Na2—O21E—Na1 | 88.05 (15) |
C13A—Fe1—C12A | 40.0 (2) | Na3—O21E—Na1 | 82.02 (13) |
C21A—Fe1—C12A | 126.0 (3) | C2E—O22E—Na9ii | 122.4 (4) |
C22A—Fe1—C24A | 68.7 (3) | C2E—O22E—Na1 | 99.8 (4) |
C14A—Fe1—C24A | 105.8 (3) | Na9ii—O22E—Na1 | 85.00 (16) |
C23A—Fe1—C24A | 41.0 (2) | O21E—C2E—O22E | 122.5 (6) |
C15A—Fe1—C24A | 123.2 (3) | O21E—C2E—C44E | 120.5 (6) |
C13A—Fe1—C24A | 120.5 (3) | O22E—C2E—C44E | 116.9 (6) |
C21A—Fe1—C24A | 68.9 (2) | O21E—C2E—Na1 | 68.8 (3) |
C12A—Fe1—C24A | 156.1 (3) | O22E—C2E—Na1 | 54.2 (3) |
C22A—Fe1—C25A | 68.4 (3) | C44E—C2E—Na1 | 169.4 (5) |
C14A—Fe1—C25A | 119.7 (3) | C15E—C11E—C12E | 105.8 (6) |
C23A—Fe1—C25A | 68.9 (3) | C15E—C11E—C31E | 128.5 (7) |
C15A—Fe1—C25A | 106.6 (3) | C12E—C11E—C31E | 125.6 (6) |
C13A—Fe1—C25A | 155.5 (3) | C15E—C11E—Fe5 | 68.8 (4) |
C21A—Fe1—C25A | 40.9 (2) | C12E—C11E—Fe5 | 67.8 (4) |
C12A—Fe1—C25A | 162.5 (2) | C31E—C11E—Fe5 | 130.2 (5) |
C24A—Fe1—C25A | 40.8 (2) | C13E—C12E—C11E | 108.7 (6) |
C22A—Fe1—C11A | 121.8 (3) | C13E—C12E—Fe5 | 70.3 (4) |
C14A—Fe1—C11A | 68.9 (3) | C11E—C12E—Fe5 | 70.7 (4) |
C23A—Fe1—C11A | 156.9 (3) | C13E—C12E—H12E | 125.6 |
C15A—Fe1—C11A | 41.2 (2) | C11E—C12E—H12E | 125.6 |
C13A—Fe1—C11A | 68.0 (3) | Fe5—C12E—H12E | 125.0 |
C21A—Fe1—C11A | 108.0 (2) | C12E—C13E—C14E | 108.1 (6) |
C12A—Fe1—C11A | 40.5 (2) | C12E—C13E—Fe5 | 69.2 (4) |
C24A—Fe1—C11A | 161.2 (3) | C14E—C13E—Fe5 | 70.0 (4) |
C25A—Fe1—C11A | 124.8 (3) | C12E—C13E—H13E | 126.0 |
C1A—O11A—Na1 | 146.3 (5) | C14E—C13E—H13E | 126.0 |
C1A—O11A—Na2 | 102.1 (4) | Fe5—C13E—H13E | 126.4 |
Na1—O11A—Na2 | 96.35 (18) | C15E—C14E—C13E | 108.0 (6) |
C1A—O12A—Na10i | 126.3 (5) | C15E—C14E—Fe5 | 69.5 (4) |
C1A—O12A—Na2 | 85.2 (4) | C13E—C14E—Fe5 | 69.2 (4) |
Na10i—O12A—Na2 | 85.81 (15) | C15E—C14E—H14E | 126.0 |
C1A—O12A—Na4 | 117.7 (5) | C13E—C14E—H14E | 126.0 |
Na10i—O12A—Na4 | 111.34 (18) | Fe5—C14E—H14E | 126.8 |
Na2—O12A—Na4 | 76.74 (13) | C14E—C15E—C11E | 109.4 (7) |
O12A—C1A—O11A | 123.4 (6) | C14E—C15E—Fe5 | 70.3 (4) |
O12A—C1A—C34A | 119.5 (7) | C11E—C15E—Fe5 | 70.5 (4) |
O11A—C1A—C34A | 117.2 (7) | C14E—C15E—H15E | 125.3 |
O12A—C1A—Na2 | 70.2 (4) | C11E—C15E—H15E | 125.3 |
O11A—C1A—Na2 | 53.1 (3) | Fe5—C15E—H15E | 125.5 |
C34A—C1A—Na2 | 170.3 (6) | C25E—C21E—C22E | 107.7 (6) |
C2A—O21A—Na8ii | 116.7 (4) | C25E—C21E—C41E | 126.3 (6) |
C2A—O21A—Na1 | 122.2 (4) | C22E—C21E—C41E | 125.9 (6) |
Na8ii—O21A—Na1 | 119.1 (2) | C25E—C21E—Fe5 | 68.8 (4) |
C2A—O21A—Na3 | 101.5 (4) | C22E—C21E—Fe5 | 70.1 (4) |
Na8ii—O21A—Na3 | 89.61 (16) | C41E—C21E—Fe5 | 128.7 (5) |
Na1—O21A—Na3 | 93.09 (16) | C21E—C22E—C23E | 107.7 (6) |
C2A—O22A—Na4 | 145.3 (4) | C21E—C22E—Fe5 | 69.2 (4) |
C2A—O22A—Na5 | 122.3 (4) | C23E—C22E—Fe5 | 68.9 (4) |
Na4—O22A—Na5 | 92.38 (17) | C21E—C22E—H22E | 126.2 |
C2A—O22A—Na3 | 85.2 (4) | C23E—C22E—H22E | 126.2 |
Na4—O22A—Na3 | 94.92 (15) | Fe5—C22E—H22E | 127.3 |
Na5—O22A—Na3 | 89.16 (14) | C24E—C23E—C22E | 108.3 (6) |
O21A—C2A—O22A | 122.0 (6) | C24E—C23E—Fe5 | 70.0 (4) |
O21A—C2A—C44A | 119.1 (6) | C22E—C23E—Fe5 | 70.0 (4) |
O22A—C2A—C44A | 118.9 (6) | C24E—C23E—H23E | 125.9 |
O21A—C2A—Na3 | 53.1 (3) | C22E—C23E—H23E | 125.9 |
O22A—C2A—Na3 | 69.0 (3) | Fe5—C23E—H23E | 125.7 |
C44A—C2A—Na3 | 172.1 (5) | C23E—C24E—C25E | 107.7 (6) |
O22A—C2A—Na8ii | 115.6 (4) | C23E—C24E—Fe5 | 69.5 (4) |
C44A—C2A—Na8ii | 108.5 (4) | C25E—C24E—Fe5 | 68.7 (3) |
Na3—C2A—Na8ii | 66.68 (15) | C23E—C24E—H24E | 126.2 |
C12A—C11A—C15A | 106.4 (6) | C25E—C24E—H24E | 126.2 |
C12A—C11A—C31A | 127.4 (7) | Fe5—C24E—H24E | 127.3 |
C15A—C11A—C31A | 126.2 (6) | C21E—C25E—C24E | 108.6 (6) |
C12A—C11A—Fe1 | 69.2 (4) | C21E—C25E—Fe5 | 70.2 (3) |
C15A—C11A—Fe1 | 68.3 (4) | C24E—C25E—Fe5 | 70.3 (3) |
C31A—C11A—Fe1 | 128.8 (4) | C21E—C25E—H25E | 125.7 |
C13A—C12A—C11A | 109.1 (7) | C24E—C25E—H25E | 125.7 |
C13A—C12A—Fe1 | 69.9 (4) | Fe5—C25E—H25E | 125.3 |
C11A—C12A—Fe1 | 70.4 (4) | C36E—C31E—C32E | 117.6 (6) |
C13A—C12A—H12A | 125.5 | C36E—C31E—C11E | 120.8 (6) |
C11A—C12A—H12A | 125.5 | C32E—C31E—C11E | 121.6 (6) |
Fe1—C12A—H12A | 125.9 | C33E—C32E—C31E | 121.6 (6) |
C12A—C13A—C14A | 108.7 (6) | C33E—C32E—H32E | 119.2 |
C12A—C13A—Fe1 | 70.1 (4) | C31E—C32E—H32E | 119.2 |
C14A—C13A—Fe1 | 69.2 (4) | C32E—C33E—C34E | 120.1 (6) |
C12A—C13A—H13A | 125.7 | C32E—C33E—H33E | 119.9 |
C14A—C13A—H13A | 125.7 | C34E—C33E—H33E | 119.9 |
Fe1—C13A—H13A | 126.6 | C35E—C34E—C33E | 117.7 (6) |
C15A—C14A—C13A | 107.6 (6) | C35E—C34E—C1E | 121.5 (6) |
C15A—C14A—Fe1 | 69.7 (3) | C33E—C34E—C1E | 120.7 (6) |
C13A—C14A—Fe1 | 70.1 (4) | C36E—C35E—C34E | 121.5 (6) |
C15A—C14A—H14A | 126.2 | C36E—C35E—H35E | 119.3 |
C13A—C14A—H14A | 126.2 | C34E—C35E—H35E | 119.3 |
Fe1—C14A—H14A | 125.5 | C35E—C36E—C31E | 121.2 (6) |
C14A—C15A—C11A | 108.2 (6) | C35E—C36E—H36E | 119.4 |
C14A—C15A—Fe1 | 69.5 (4) | C31E—C36E—H36E | 119.4 |
C11A—C15A—Fe1 | 70.5 (3) | C46E—C41E—C42E | 117.0 (6) |
C14A—C15A—H15A | 125.9 | C46E—C41E—C21E | 122.2 (7) |
C11A—C15A—H15A | 125.9 | C42E—C41E—C21E | 120.7 (6) |
Fe1—C15A—H15A | 125.8 | C43E—C42E—C41E | 121.5 (6) |
C22A—C21A—C25A | 107.5 (5) | C43E—C42E—H42E | 119.3 |
C22A—C21A—C41A | 127.6 (6) | C41E—C42E—H42E | 119.3 |
C25A—C21A—C41A | 125.0 (6) | C42E—C43E—C44E | 120.3 (6) |
C22A—C21A—Fe1 | 68.8 (4) | C42E—C43E—H43E | 119.9 |
C25A—C21A—Fe1 | 70.1 (4) | C44E—C43E—H43E | 119.9 |
C41A—C21A—Fe1 | 127.1 (4) | C43E—C44E—C45E | 119.1 (6) |
C21A—C22A—C23A | 109.4 (6) | C43E—C44E—C2E | 120.3 (6) |
C21A—C22A—Fe1 | 70.5 (4) | C45E—C44E—C2E | 120.5 (6) |
C23A—C22A—Fe1 | 69.8 (3) | C46E—C45E—C44E | 119.6 (6) |
C21A—C22A—H22A | 125.3 | C46E—C45E—H45E | 120.2 |
C23A—C22A—H22A | 125.3 | C44E—C45E—H45E | 120.2 |
Fe1—C22A—H22A | 125.9 | C41E—C46E—C45E | 122.4 (6) |
C22A—C23A—C24A | 107.5 (6) | C41E—C46E—H46E | 118.8 |
C22A—C23A—Fe1 | 69.1 (3) | C45E—C46E—H46E | 118.8 |
C24A—C23A—Fe1 | 70.4 (4) | O11A—Na1—O11Eii | 138.42 (19) |
C22A—C23A—H23A | 126.3 | O11A—Na1—O21A | 93.63 (18) |
C24A—C23A—H23A | 126.3 | O11Eii—Na1—O21A | 96.99 (18) |
Fe1—C23A—H23A | 125.8 | O11A—Na1—O22E | 124.30 (19) |
C23A—C24A—C25A | 107.7 (6) | O11Eii—Na1—O22E | 85.08 (18) |
C23A—C24A—Fe1 | 68.6 (4) | O21A—Na1—O22E | 117.74 (17) |
C25A—C24A—Fe1 | 69.8 (4) | O11A—Na1—O21E | 85.68 (17) |
C23A—C24A—H24A | 126.1 | O11Eii—Na1—O21E | 133.95 (18) |
C25A—C24A—H24A | 126.1 | O21A—Na1—O21E | 91.03 (15) |
Fe1—C24A—H24A | 127.0 | O22E—Na1—O21E | 51.82 (14) |
C24A—C25A—C21A | 108.0 (6) | O11A—Na1—C2E | 104.6 (2) |
C24A—C25A—Fe1 | 69.4 (4) | O11Eii—Na1—C2E | 110.3 (2) |
C21A—C25A—Fe1 | 69.0 (4) | O21A—Na1—C2E | 107.05 (18) |
C24A—C25A—H25A | 126.0 | O22E—Na1—C2E | 26.00 (16) |
C21A—C25A—H25A | 126.0 | O21E—Na1—C2E | 25.93 (14) |
Fe1—C25A—H25A | 127.1 | O11A—Na1—Na9ii | 166.79 (15) |
C36A—C31A—C32A | 118.3 (6) | O11Eii—Na1—Na9ii | 54.70 (13) |
C36A—C31A—C11A | 121.1 (6) | O21A—Na1—Na9ii | 84.87 (14) |
C32A—C31A—C11A | 120.6 (6) | O22E—Na1—Na9ii | 46.88 (13) |
C33A—C32A—C31A | 120.0 (6) | O21E—Na1—Na9ii | 81.23 (13) |
C33A—C32A—H32A | 120.0 | C2E—Na1—Na9ii | 63.62 (15) |
C31A—C32A—H32A | 120.0 | O11A—Na1—Na3 | 90.20 (14) |
C32A—C33A—C34A | 121.8 (6) | O11Eii—Na1—Na3 | 124.22 (16) |
C32A—C33A—H33A | 119.1 | O21A—Na1—Na3 | 43.67 (11) |
C34A—C33A—H33A | 119.1 | O22E—Na1—Na3 | 84.82 (13) |
C35A—C34A—C33A | 117.7 (6) | O21E—Na1—Na3 | 47.36 (10) |
C35A—C34A—C1A | 121.4 (7) | C2E—Na1—Na3 | 65.90 (15) |
C33A—C34A—C1A | 120.7 (7) | Na9ii—Na1—Na3 | 79.64 (8) |
C36A—C35A—C34A | 120.7 (7) | O11A—Na1—Na2 | 44.16 (12) |
C36A—C35A—H35A | 119.7 | O11Eii—Na1—Na2 | 172.57 (15) |
C34A—C35A—H35A | 119.7 | O21A—Na1—Na2 | 89.45 (13) |
C31A—C36A—C35A | 121.4 (6) | O22E—Na1—Na2 | 88.65 (14) |
C31A—C36A—H36A | 119.3 | O21E—Na1—Na2 | 41.77 (12) |
C35A—C36A—H36A | 119.3 | C2E—Na1—Na2 | 63.94 (16) |
C46A—C41A—C42A | 117.2 (6) | Na9ii—Na1—Na2 | 122.64 (9) |
C46A—C41A—C21A | 121.5 (6) | Na3—Na1—Na2 | 58.93 (7) |
C42A—C41A—C21A | 121.2 (6) | O11A—Na1—Na8ii | 123.95 (15) |
C43A—C42A—C41A | 121.0 (6) | O11Eii—Na1—Na8ii | 74.66 (13) |
C43A—C42A—H42A | 119.5 | O21A—Na1—Na8ii | 30.35 (12) |
C41A—C42A—H42A | 119.5 | O22E—Na1—Na8ii | 95.09 (13) |
C42A—C43A—C44A | 120.8 (6) | O21E—Na1—Na8ii | 91.91 (12) |
C42A—C43A—H43A | 119.6 | C2E—Na1—Na8ii | 95.64 (15) |
C44A—C43A—H43A | 119.6 | Na9ii—Na1—Na8ii | 55.17 (7) |
C45A—C44A—C43A | 118.2 (6) | Na3—Na1—Na8ii | 51.95 (7) |
C45A—C44A—C2A | 121.5 (6) | Na2—Na1—Na8ii | 109.95 (8) |
C43A—C44A—C2A | 120.2 (6) | O21E—Na2—O21Ci | 142.88 (17) |
C44A—C45A—C46A | 121.3 (6) | O21E—Na2—O1W | 91.09 (19) |
C44A—C45A—H45A | 119.3 | O21Ci—Na2—O1W | 88.31 (19) |
C46A—C45A—H45A | 119.3 | O21E—Na2—O12B | 83.16 (16) |
C45A—C46A—C41A | 121.4 (6) | O21Ci—Na2—O12B | 84.23 (16) |
C45A—C46A—H46A | 119.3 | O1W—Na2—O12B | 158.9 (2) |
C41A—C46A—H46A | 119.3 | O21E—Na2—O11A | 89.40 (17) |
C23B—Fe2—C25B | 68.4 (3) | O21Ci—Na2—O11A | 127.48 (18) |
C23B—Fe2—C12B | 125.5 (3) | O1W—Na2—O11A | 85.38 (19) |
C25B—Fe2—C12B | 155.6 (2) | O12B—Na2—O11A | 114.76 (17) |
C23B—Fe2—C22B | 40.6 (2) | O21E—Na2—O12A | 133.69 (17) |
C25B—Fe2—C22B | 68.9 (3) | O21Ci—Na2—O12A | 82.14 (16) |
C12B—Fe2—C22B | 107.5 (3) | O1W—Na2—O12A | 103.37 (19) |
C23B—Fe2—C24B | 40.3 (2) | O12B—Na2—O12A | 95.18 (15) |
C25B—Fe2—C24B | 41.1 (2) | O11A—Na2—O12A | 49.36 (14) |
C12B—Fe2—C24B | 162.0 (3) | O21E—Na2—C1A | 112.3 (2) |
C22B—Fe2—C24B | 68.5 (3) | O21Ci—Na2—C1A | 104.8 (2) |
C23B—Fe2—C13B | 108.3 (3) | O1W—Na2—C1A | 94.5 (2) |
C25B—Fe2—C13B | 161.8 (3) | O12B—Na2—C1A | 106.56 (18) |
C12B—Fe2—C13B | 40.9 (2) | O11A—Na2—C1A | 24.82 (17) |
C22B—Fe2—C13B | 121.0 (3) | O12A—Na2—C1A | 24.55 (16) |
C24B—Fe2—C13B | 124.9 (2) | O21E—Na2—Na3 | 48.49 (12) |
C23B—Fe2—C14B | 121.3 (3) | O21Ci—Na2—Na3 | 126.75 (14) |
C25B—Fe2—C14B | 124.5 (3) | O1W—Na2—Na3 | 139.01 (17) |
C12B—Fe2—C14B | 68.7 (3) | O12B—Na2—Na3 | 42.62 (12) |
C22B—Fe2—C14B | 156.2 (3) | O11A—Na2—Na3 | 87.44 (13) |
C24B—Fe2—C14B | 107.5 (3) | O12A—Na2—Na3 | 102.10 (13) |
C13B—Fe2—C14B | 40.7 (2) | C1A—Na2—Na3 | 95.60 (16) |
C23B—Fe2—C15B | 155.8 (3) | O21E—Na2—Na1 | 50.18 (11) |
C25B—Fe2—C15B | 107.7 (3) | O21Ci—Na2—Na1 | 166.93 (14) |
C12B—Fe2—C15B | 68.0 (3) | O1W—Na2—Na1 | 91.01 (15) |
C22B—Fe2—C15B | 162.4 (2) | O12B—Na2—Na1 | 100.63 (14) |
C24B—Fe2—C15B | 121.0 (3) | O11A—Na2—Na1 | 39.49 (12) |
C13B—Fe2—C15B | 67.6 (3) | O12A—Na2—Na1 | 85.32 (12) |
C14B—Fe2—C15B | 39.9 (2) | C1A—Na2—Na1 | 62.25 (17) |
C23B—Fe2—C21B | 68.4 (2) | Na3—Na2—Na1 | 59.75 (7) |
C25B—Fe2—C21B | 41.1 (2) | O21E—Na2—Na10i | 165.93 (14) |
C12B—Fe2—C21B | 120.3 (2) | O21Ci—Na2—Na10i | 47.92 (12) |
C22B—Fe2—C21B | 40.8 (2) | O1W—Na2—Na10i | 79.21 (16) |
C24B—Fe2—C21B | 69.0 (2) | O12B—Na2—Na10i | 109.47 (13) |
C13B—Fe2—C21B | 155.9 (3) | O11A—Na2—Na10i | 79.75 (13) |
C14B—Fe2—C21B | 161.7 (3) | O12A—Na2—Na10i | 41.59 (11) |
C15B—Fe2—C21B | 125.4 (3) | C1A—Na2—Na10i | 59.04 (17) |
C23B—Fe2—C11B | 162.4 (3) | Na3—Na2—Na10i | 138.68 (9) |
C25B—Fe2—C11B | 120.0 (3) | Na1—Na2—Na10i | 119.18 (8) |
C12B—Fe2—C11B | 41.0 (2) | O21E—Na2—Na4 | 111.69 (14) |
C22B—Fe2—C11B | 124.9 (3) | O21Ci—Na2—Na4 | 79.58 (13) |
C24B—Fe2—C11B | 155.6 (3) | O1W—Na2—Na4 | 155.08 (18) |
C13B—Fe2—C11B | 68.7 (2) | O12B—Na2—Na4 | 41.51 (10) |
C14B—Fe2—C11B | 68.5 (2) | O11A—Na2—Na4 | 84.90 (13) |
C15B—Fe2—C11B | 40.6 (2) | O12A—Na2—Na4 | 53.67 (11) |
C21B—Fe2—C11B | 106.9 (2) | C1A—Na2—Na4 | 68.18 (15) |
C1B—O11B—Na6i | 113.9 (4) | Na3—Na2—Na4 | 63.25 (7) |
C1B—O11B—Na7iii | 123.2 (4) | Na1—Na2—Na4 | 95.93 (8) |
Na6i—O11B—Na7iii | 119.75 (18) | Na10i—Na2—Na4 | 76.50 (8) |
C1B—O11B—Na4 | 86.1 (4) | O21E—Na2—H11 | 78.1 (15) |
Na6i—O11B—Na4 | 83.44 (14) | O21Ci—Na2—H11 | 108.2 (8) |
Na7iii—O11B—Na4 | 82.75 (13) | O1W—Na2—H11 | 20.4 (6) |
C1B—O12B—Na3 | 135.3 (4) | O12B—Na2—H11 | 160.8 (17) |
C1B—O12B—Na2 | 123.8 (4) | O11A—Na2—H11 | 69.8 (11) |
Na3—O12B—Na2 | 92.54 (16) | O12A—Na2—H11 | 101.0 (17) |
C1B—O12B—Na4 | 98.0 (4) | C1A—Na2—H11 | 84.9 (15) |
Na3—O12B—Na4 | 102.56 (17) | Na3—Na2—H11 | 122.4 (12) |
Na2—O12B—Na4 | 97.12 (16) | Na1—Na2—H11 | 70.6 (6) |
O11B—C1B—O12B | 123.8 (6) | Na10i—Na2—H11 | 89.6 (16) |
O11B—C1B—C34B | 118.3 (6) | Na4—Na2—H11 | 153.1 (15) |
O12B—C1B—C34B | 117.9 (6) | O12B—Na3—O12Cii | 153.87 (17) |
O11B—C1B—Na4 | 67.9 (3) | O12B—Na3—O21A | 117.22 (17) |
O12B—C1B—Na4 | 56.0 (3) | O12Cii—Na3—O21A | 82.18 (16) |
C34B—C1B—Na4 | 173.2 (5) | O12B—Na3—O22B | 94.26 (16) |
C2B—O21B—Na7iii | 144.6 (4) | O12Cii—Na3—O22B | 94.70 (17) |
C2B—O21B—Na6iii | 120.7 (4) | O21A—Na3—O22B | 110.54 (16) |
Na7iii—O21B—Na6iii | 93.35 (17) | O12B—Na3—O21E | 80.30 (16) |
C2B—O21B—Na5 | 89.6 (4) | O12Cii—Na3—O21E | 81.09 (16) |
Na7iii—O21B—Na5 | 97.80 (16) | O21A—Na3—O21E | 93.85 (15) |
Na6iii—O21B—Na5 | 93.97 (15) | O22B—Na3—O21E | 154.54 (15) |
C2B—O22B—Na7ii | 114.0 (4) | O12B—Na3—O22A | 77.12 (15) |
C2B—O22B—Na3 | 122.4 (4) | O12Cii—Na3—O22A | 128.25 (17) |
Na7ii—O22B—Na3 | 122.3 (2) | O21A—Na3—O22A | 51.23 (14) |
C2B—O22B—Na5 | 94.3 (4) | O22B—Na3—O22A | 84.01 (14) |
Na7ii—O22B—Na5 | 89.77 (15) | O21E—Na3—O22A | 118.35 (15) |
Na3—O22B—Na5 | 97.33 (15) | O12B—Na3—C2A | 97.44 (19) |
O21B—C2B—O22B | 123.3 (6) | O12Cii—Na3—C2A | 105.47 (19) |
O21B—C2B—C44B | 119.0 (6) | O21A—Na3—C2A | 25.38 (16) |
O22B—C2B—C44B | 117.6 (6) | O22B—Na3—C2A | 98.28 (17) |
O21B—C2B—Na5 | 64.3 (3) | O21E—Na3—C2A | 107.06 (17) |
O22B—C2B—Na5 | 59.1 (3) | O22A—Na3—C2A | 25.85 (14) |
C44B—C2B—Na5 | 175.9 (5) | O12B—Na3—Na8ii | 155.44 (14) |
O21B—C2B—Na7ii | 115.7 (4) | O12Cii—Na3—Na8ii | 50.55 (11) |
C44B—C2B—Na7ii | 106.7 (4) | O21A—Na3—Na8ii | 44.75 (12) |
Na5—C2B—Na7ii | 69.31 (16) | O22B—Na3—Na8ii | 81.34 (13) |
C15B—C11B—C12B | 105.8 (5) | O21E—Na3—Na8ii | 113.43 (14) |
C15B—C11B—C31B | 127.6 (6) | O22A—Na3—Na8ii | 78.39 (12) |
C12B—C11B—C31B | 126.6 (6) | C2A—Na3—Na8ii | 59.74 (15) |
C15B—C11B—Fe2 | 69.0 (4) | O12B—Na3—Na2 | 44.84 (11) |
C12B—C11B—Fe2 | 68.2 (4) | O12Cii—Na3—Na2 | 123.27 (14) |
C31B—C11B—Fe2 | 128.7 (4) | O21A—Na3—Na2 | 91.14 (13) |
C13B—C12B—C11B | 108.5 (6) | O22B—Na3—Na2 | 139.00 (15) |
C13B—C12B—Fe2 | 70.0 (3) | O21E—Na3—Na2 | 43.04 (12) |
C11B—C12B—Fe2 | 70.8 (3) | O22A—Na3—Na2 | 83.56 (11) |
C13B—C12B—H12B | 125.7 | C2A—Na3—Na2 | 86.75 (14) |
C11B—C12B—H12B | 125.7 | Na8ii—Na3—Na2 | 133.38 (9) |
Fe2—C12B—H12B | 125.0 | O12B—Na3—Na1 | 104.30 (14) |
C12B—C13B—C14B | 107.9 (6) | O12Cii—Na3—Na1 | 77.23 (12) |
C12B—C13B—Fe2 | 69.1 (3) | O21A—Na3—Na1 | 43.23 (11) |
C14B—C13B—Fe2 | 69.8 (4) | O22B—Na3—Na1 | 152.93 (14) |
C12B—C13B—H13B | 126.1 | O21E—Na3—Na1 | 50.62 (10) |
C14B—C13B—H13B | 126.1 | O22A—Na3—Na1 | 81.20 (11) |
Fe2—C13B—H13B | 126.6 | C2A—Na3—Na1 | 60.32 (15) |
C15B—C14B—C13B | 107.6 (6) | Na8ii—Na3—Na1 | 73.56 (8) |
C15B—C14B—Fe2 | 70.1 (4) | Na2—Na3—Na1 | 61.32 (7) |
C13B—C14B—Fe2 | 69.5 (4) | O12B—Na3—Na5 | 84.85 (12) |
C15B—C14B—H14B | 126.2 | O12Cii—Na3—Na5 | 117.52 (14) |
C13B—C14B—H14B | 126.2 | O21A—Na3—Na5 | 79.23 (12) |
Fe2—C14B—H14B | 125.8 | O22B—Na3—Na5 | 41.66 (10) |
C14B—C15B—C11B | 110.2 (7) | O21E—Na3—Na5 | 158.53 (14) |
C14B—C15B—Fe2 | 70.0 (4) | O22A—Na3—Na5 | 42.35 (10) |
C11B—C15B—Fe2 | 70.4 (4) | C2A—Na3—Na5 | 59.52 (15) |
C14B—C15B—H15B | 124.9 | Na8ii—Na3—Na5 | 75.80 (7) |
C11B—C15B—H15B | 124.9 | Na2—Na3—Na5 | 116.23 (9) |
Fe2—C15B—H15B | 126.3 | Na1—Na3—Na5 | 119.82 (8) |
C22B—C21B—C25B | 106.7 (5) | O12B—Na3—Na4 | 39.72 (11) |
C22B—C21B—C41B | 126.6 (6) | O12Cii—Na3—Na4 | 165.67 (13) |
C25B—C21B—C41B | 126.7 (6) | O21A—Na3—Na4 | 84.12 (13) |
C22B—C21B—Fe2 | 68.7 (3) | O22B—Na3—Na4 | 86.19 (12) |
C25B—C21B—Fe2 | 68.3 (3) | O21E—Na3—Na4 | 104.06 (14) |
C41B—C21B—Fe2 | 126.5 (4) | O22A—Na3—Na4 | 37.55 (11) |
C23B—C22B—C21B | 108.0 (6) | C2A—Na3—Na4 | 60.31 (16) |
C23B—C22B—Fe2 | 69.2 (4) | Na8ii—Na3—Na4 | 115.72 (8) |
C21B—C22B—Fe2 | 70.5 (4) | Na2—Na3—Na4 | 61.07 (7) |
C23B—C22B—H22B | 126.0 | Na1—Na3—Na4 | 95.54 (8) |
C21B—C22B—H22B | 126.0 | Na5—Na3—Na4 | 55.30 (7) |
Fe2—C22B—H22B | 125.8 | O22A—Na4—O22Di | 149.84 (17) |
C24B—C23B—C22B | 109.6 (6) | O22A—Na4—O12B | 85.09 (16) |
C24B—C23B—Fe2 | 70.3 (4) | O22Di—Na4—O12B | 124.29 (17) |
C22B—C23B—Fe2 | 70.2 (4) | O22A—Na4—O12Diii | 82.67 (17) |
C24B—C23B—H23B | 125.2 | O22Di—Na4—O12Diii | 87.23 (17) |
C22B—C23B—H23B | 125.2 | O12B—Na4—O12Diii | 119.59 (17) |
Fe2—C23B—H23B | 125.9 | O22A—Na4—O11B | 127.18 (17) |
C23B—C24B—C25B | 107.5 (6) | O22Di—Na4—O11B | 81.51 (15) |
C23B—C24B—Fe2 | 69.4 (4) | O12B—Na4—O11B | 51.94 (13) |
C25B—C24B—Fe2 | 69.2 (3) | O12Diii—Na4—O11B | 92.87 (15) |
C23B—C24B—H24B | 126.3 | O22A—Na4—C1B | 106.24 (19) |
C25B—C24B—H24B | 126.3 | O22Di—Na4—C1B | 103.88 (19) |
Fe2—C24B—H24B | 126.7 | O12B—Na4—C1B | 25.97 (16) |
C24B—C25B—C21B | 108.2 (6) | O12Diii—Na4—C1B | 106.86 (18) |
C24B—C25B—Fe2 | 69.7 (3) | O11B—Na4—C1B | 26.01 (15) |
C21B—C25B—Fe2 | 70.6 (3) | O22A—Na4—O12A | 88.81 (16) |
C24B—C25B—H25B | 125.9 | O22Di—Na4—O12A | 84.45 (16) |
C21B—C25B—H25B | 125.9 | O12B—Na4—O12A | 90.95 (14) |
Fe2—C25B—H25B | 125.3 | O12Diii—Na4—O12A | 147.18 (15) |
C32B—C31B—C36B | 115.8 (6) | O11B—Na4—O12A | 117.05 (14) |
C32B—C31B—C11B | 122.9 (6) | C1B—Na4—O12A | 105.95 (17) |
C36B—C31B—C11B | 121.3 (6) | O22A—Na4—C2Di | 138.10 (18) |
C33B—C32B—C31B | 122.6 (6) | O22Di—Na4—C2Di | 21.47 (14) |
C33B—C32B—H32B | 118.7 | O12B—Na4—C2Di | 123.22 (18) |
C31B—C32B—H32B | 118.7 | O12Diii—Na4—C2Di | 103.86 (18) |
C32B—C33B—C34B | 120.8 (6) | O11B—Na4—C2Di | 94.20 (17) |
C32B—C33B—H33B | 119.6 | C1B—Na4—C2Di | 110.9 (2) |
C34B—C33B—H33B | 119.6 | O12A—Na4—C2Di | 63.16 (16) |
C33B—C34B—C35B | 117.7 (6) | O22A—Na4—Na6i | 160.14 (15) |
C33B—C34B—C1B | 122.2 (6) | O22Di—Na4—Na6i | 47.16 (11) |
C35B—C34B—C1B | 120.1 (6) | O12B—Na4—Na6i | 77.15 (12) |
C36B—C35B—C34B | 120.9 (6) | O12Diii—Na4—Na6i | 113.79 (14) |
C36B—C35B—H35B | 119.6 | O11B—Na4—Na6i | 45.00 (11) |
C34B—C35B—H35B | 119.6 | C1B—Na4—Na6i | 59.57 (15) |
C35B—C36B—C31B | 122.1 (6) | O12A—Na4—Na6i | 82.74 (12) |
C35B—C36B—H36B | 118.9 | C2Di—Na4—Na6i | 51.56 (13) |
C31B—C36B—H36B | 118.9 | O22A—Na4—Na5 | 46.15 (12) |
C46B—C41B—C42B | 118.0 (6) | O22Di—Na4—Na5 | 130.88 (14) |
C46B—C41B—C21B | 120.5 (6) | O12B—Na4—Na5 | 88.99 (13) |
C42B—C41B—C21B | 121.5 (6) | O12Diii—Na4—Na5 | 43.65 (12) |
C43B—C42B—C41B | 121.6 (6) | O11B—Na4—Na5 | 97.88 (12) |
C43B—C42B—H42B | 119.2 | C1B—Na4—Na5 | 92.93 (15) |
C41B—C42B—H42B | 119.2 | O12A—Na4—Na5 | 134.79 (13) |
C42B—C43B—C44B | 119.6 (6) | C2Di—Na4—Na5 | 145.60 (15) |
C42B—C43B—H43B | 120.2 | Na6i—Na4—Na5 | 140.67 (10) |
C44B—C43B—H43B | 120.2 | O22A—Na4—Na7iii | 109.64 (14) |
C45B—C44B—C43B | 119.3 (6) | O22Di—Na4—Na7iii | 81.78 (13) |
C45B—C44B—C2B | 120.0 (6) | O12B—Na4—Na7iii | 85.99 (12) |
C43B—C44B—C2B | 120.6 (6) | O12Diii—Na4—Na7iii | 45.13 (10) |
C46B—C45B—C44B | 120.1 (6) | O11B—Na4—Na7iii | 47.74 (10) |
C46B—C45B—H45B | 120.0 | C1B—Na4—Na7iii | 65.04 (15) |
C44B—C45B—H45B | 120.0 | O12A—Na4—Na7iii | 160.91 (13) |
C45B—C46B—C41B | 121.3 (6) | C2Di—Na4—Na7iii | 103.13 (15) |
C45B—C46B—H46B | 119.3 | Na6i—Na4—Na7iii | 78.21 (8) |
C41B—C46B—H46B | 119.3 | Na5—Na4—Na7iii | 64.07 (7) |
C23C—Fe3—C15C | 162.7 (3) | O22A—Na4—Na2 | 85.94 (13) |
C23C—Fe3—C22C | 41.3 (2) | O22Di—Na4—Na2 | 111.00 (14) |
C15C—Fe3—C22C | 155.0 (3) | O12B—Na4—Na2 | 41.37 (11) |
C23C—Fe3—C13C | 107.4 (3) | O12Diii—Na4—Na2 | 158.90 (15) |
C15C—Fe3—C13C | 68.5 (3) | O11B—Na4—Na2 | 79.98 (11) |
C22C—Fe3—C13C | 124.5 (3) | C1B—Na4—Na2 | 59.62 (15) |
C23C—Fe3—C24C | 40.4 (2) | O12A—Na4—Na2 | 49.58 (10) |
C15C—Fe3—C24C | 126.0 (3) | C2Di—Na4—Na2 | 96.48 (15) |
C22C—Fe3—C24C | 69.1 (3) | Na6i—Na4—Na2 | 74.89 (8) |
C13C—Fe3—C24C | 120.5 (3) | Na5—Na4—Na2 | 117.26 (9) |
C23C—Fe3—C14C | 125.1 (3) | Na7iii—Na4—Na2 | 124.66 (8) |
C15C—Fe3—C14C | 40.9 (2) | O12Diii—Na5—O11Dii | 149.00 (17) |
C22C—Fe3—C14C | 162.0 (3) | O12Diii—Na5—O22B | 122.08 (17) |
C13C—Fe3—C14C | 40.7 (3) | O11Dii—Na5—O22B | 83.24 (16) |
C24C—Fe3—C14C | 107.8 (3) | O12Diii—Na5—O22A | 80.20 (16) |
C23C—Fe3—C25C | 67.6 (3) | O11Dii—Na5—O22A | 82.70 (16) |
C15C—Fe3—C25C | 108.7 (3) | O22B—Na5—O22A | 89.49 (15) |
C22C—Fe3—C25C | 68.9 (3) | O12Diii—Na5—O22Diii | 92.49 (16) |
C13C—Fe3—C25C | 155.2 (3) | O11Dii—Na5—O22Diii | 93.82 (16) |
C24C—Fe3—C25C | 39.9 (2) | O22B—Na5—O22Diii | 111.74 (15) |
C14C—Fe3—C25C | 120.9 (3) | O22A—Na5—O22Diii | 158.01 (15) |
C23C—Fe3—C12C | 119.8 (3) | O12Diii—Na5—O21B | 80.28 (16) |
C15C—Fe3—C12C | 68.6 (3) | O11Dii—Na5—O21B | 130.54 (17) |
C22C—Fe3—C12C | 106.5 (3) | O22B—Na5—O21B | 52.78 (14) |
C13C—Fe3—C12C | 39.9 (2) | O22A—Na5—O21B | 114.26 (15) |
C24C—Fe3—C12C | 154.4 (3) | O22Diii—Na5—O21B | 84.48 (14) |
C14C—Fe3—C12C | 68.1 (3) | O12Diii—Na5—C2B | 101.7 (2) |
C25C—Fe3—C12C | 164.0 (3) | O11Dii—Na5—C2B | 107.3 (2) |
C23C—Fe3—C21C | 68.4 (2) | O22B—Na5—C2B | 26.67 (16) |
C15C—Fe3—C21C | 120.7 (3) | O22A—Na5—C2B | 103.52 (17) |
C22C—Fe3—C21C | 40.9 (2) | O22Diii—Na5—C2B | 98.26 (17) |
C13C—Fe3—C21C | 162.1 (3) | O21B—Na5—C2B | 26.11 (16) |
C24C—Fe3—C21C | 68.4 (2) | O12Diii—Na5—Na7ii | 158.42 (14) |
C14C—Fe3—C21C | 155.9 (3) | O11Dii—Na5—Na7ii | 52.54 (11) |
C25C—Fe3—C21C | 41.0 (2) | O22B—Na5—Na7ii | 44.06 (11) |
C12C—Fe3—C21C | 125.7 (3) | O22A—Na5—Na7ii | 112.11 (14) |
C23C—Fe3—C11C | 154.6 (3) | O22Diii—Na5—Na7ii | 81.80 (12) |
C15C—Fe3—C11C | 41.1 (2) | O21B—Na5—Na7ii | 78.47 (12) |
C22C—Fe3—C11C | 119.3 (3) | C2B—Na5—Na7ii | 59.00 (16) |
C13C—Fe3—C11C | 67.9 (3) | O12Diii—Na5—Na4 | 45.53 (12) |
C24C—Fe3—C11C | 163.7 (3) | O11Dii—Na5—Na4 | 124.13 (14) |
C14C—Fe3—C11C | 68.6 (2) | O22B—Na5—Na4 | 92.35 (13) |
C25C—Fe3—C11C | 127.1 (3) | O22A—Na5—Na4 | 41.47 (12) |
C12C—Fe3—C11C | 40.6 (2) | O22Diii—Na5—Na4 | 137.74 (14) |
C21C—Fe3—C11C | 108.0 (2) | O21B—Na5—Na4 | 83.59 (12) |
C1C—O11C—Na6 | 135.7 (4) | C2B—Na5—Na4 | 88.16 (15) |
C1C—O11C—Na7 | 130.9 (4) | Na7ii—Na5—Na4 | 134.42 (9) |
Na6—O11C—Na7 | 92.12 (17) | O12Diii—Na5—Na3 | 107.12 (13) |
C1C—O11C—Na8 | 93.3 (4) | O11Dii—Na5—Na3 | 79.55 (12) |
Na6—O11C—Na8 | 97.70 (16) | O22B—Na5—Na3 | 41.01 (11) |
Na7—O11C—Na8 | 89.41 (14) | O22A—Na5—Na3 | 48.49 (10) |
C1C—O12C—Na3i | 117.1 (4) | O22Diii—Na5—Na3 | 152.23 (13) |
C1C—O12C—Na9 | 120.5 (4) | O21B—Na5—Na3 | 79.83 (11) |
Na3i—O12C—Na9 | 121.6 (2) | C2B—Na5—Na3 | 59.20 (15) |
C1C—O12C—Na8 | 91.2 (4) | Na7ii—Na5—Na3 | 72.73 (7) |
Na3i—O12C—Na8 | 84.41 (14) | Na4—Na5—Na3 | 62.98 (7) |
Na9—O12C—Na8 | 85.31 (14) | O12Diii—Na5—Na7iii | 41.99 (11) |
O11C—C1C—O12C | 122.7 (6) | O11Dii—Na5—Na7iii | 168.60 (13) |
O11C—C1C—C34C | 118.7 (6) | O22B—Na5—Na7iii | 85.73 (12) |
O12C—C1C—C34C | 118.6 (6) | O22A—Na5—Na7iii | 100.13 (13) |
O11C—C1C—Na8 | 60.8 (3) | O22Diii—Na5—Na7iii | 87.57 (12) |
O12C—C1C—Na8 | 62.7 (3) | O21B—Na5—Na7iii | 38.30 (11) |
C34C—C1C—Na8 | 170.9 (5) | C2B—Na5—Na7iii | 61.28 (17) |
C2C—O21C—Na2ii | 118.2 (4) | Na7ii—Na5—Na7iii | 116.66 (8) |
C2C—O21C—Na6 | 119.1 (4) | Na4—Na5—Na7iii | 59.14 (7) |
Na2ii—O21C—Na6 | 122.6 (2) | Na3—Na5—Na7iii | 93.98 (7) |
C2C—O21C—Na10 | 86.0 (4) | O12Diii—Na5—Na6iii | 85.63 (13) |
Na2ii—O21C—Na10 | 90.64 (15) | O11Dii—Na5—Na6iii | 118.69 (14) |
Na6—O21C—Na10 | 89.35 (14) | O22B—Na5—Na6iii | 80.14 (12) |
C2C—O22C—Na9 | 161.0 (4) | O22A—Na5—Na6iii | 154.46 (14) |
C2C—O22C—Na10 | 95.7 (4) | O22Diii—Na5—Na6iii | 42.73 (10) |
Na9—O22C—Na10 | 100.14 (18) | O21B—Na5—Na6iii | 41.76 (10) |
O22C—C2C—O21C | 123.6 (6) | C2B—Na5—Na6iii | 58.68 (15) |
O22C—C2C—C44C | 117.9 (6) | Na7ii—Na5—Na6iii | 76.03 (7) |
O21C—C2C—C44C | 118.6 (6) | Na4—Na5—Na6iii | 115.18 (9) |
O22C—C2C—Na10 | 58.1 (3) | Na3—Na5—Na6iii | 117.88 (7) |
O21C—C2C—Na10 | 67.5 (3) | Na7iii—Na5—Na6iii | 56.14 (6) |
C44C—C2C—Na10 | 164.8 (4) | O11C—Na6—O11Bii | 147.64 (16) |
C12C—C11C—C15C | 106.2 (6) | O11C—Na6—O21Biv | 80.53 (16) |
C12C—C11C—C31C | 128.0 (7) | O11Bii—Na6—O21Biv | 83.16 (16) |
C15C—C11C—C31C | 125.7 (6) | O11C—Na6—O22D | 122.71 (17) |
C12C—C11C—Fe3 | 68.7 (4) | O11Bii—Na6—O22D | 83.97 (15) |
C15C—C11C—Fe3 | 67.4 (4) | O21Biv—Na6—O22D | 87.26 (15) |
C31C—C11C—Fe3 | 130.0 (4) | O11C—Na6—O21D | 80.93 (16) |
C13C—C12C—C11C | 108.8 (7) | O11Bii—Na6—O21D | 131.29 (17) |
C13C—C12C—Fe3 | 69.6 (4) | O21Biv—Na6—O21D | 112.13 (15) |
C11C—C12C—Fe3 | 70.7 (4) | O22D—Na6—O21D | 52.80 (14) |
C13C—C12C—H12C | 125.6 | O11C—Na6—O21C | 95.44 (16) |
C11C—C12C—H12C | 125.6 | O11Bii—Na6—O21C | 89.74 (16) |
Fe3—C12C—H12C | 125.7 | O21Biv—Na6—O21C | 158.68 (16) |
C12C—C13C—C14C | 109.3 (6) | O22D—Na6—O21C | 112.03 (16) |
C12C—C13C—Fe3 | 70.5 (4) | O21D—Na6—O21C | 87.62 (15) |
C14C—C13C—Fe3 | 70.0 (4) | O11C—Na6—C2D | 103.11 (19) |
C12C—C13C—H13C | 125.4 | O11Bii—Na6—C2D | 107.47 (19) |
C14C—C13C—H13C | 125.4 | O21Biv—Na6—C2D | 101.68 (17) |
Fe3—C13C—H13C | 125.7 | O22D—Na6—C2D | 26.41 (15) |
C13C—C14C—C15C | 107.0 (6) | O21D—Na6—C2D | 26.45 (15) |
C13C—C14C—Fe3 | 69.4 (4) | O21C—Na6—C2D | 99.62 (17) |
C15C—C14C—Fe3 | 68.6 (3) | O11C—Na6—Na4ii | 160.81 (14) |
C13C—C14C—H14C | 126.5 | O11Bii—Na6—Na4ii | 51.56 (11) |
C15C—C14C—H14C | 126.5 | O21Biv—Na6—Na4ii | 108.33 (13) |
Fe3—C14C—H14C | 127.0 | O22D—Na6—Na4ii | 43.47 (11) |
C14C—C15C—C11C | 108.6 (6) | O21D—Na6—Na4ii | 79.94 (13) |
C14C—C15C—Fe3 | 70.4 (3) | O21C—Na6—Na4ii | 82.16 (13) |
C11C—C15C—Fe3 | 71.5 (4) | C2D—Na6—Na4ii | 58.93 (15) |
C14C—C15C—H15C | 125.7 | O11C—Na6—Na7 | 44.91 (11) |
C11C—C15C—H15C | 125.7 | O11Bii—Na6—Na7 | 124.71 (13) |
Fe3—C15C—H15C | 124.0 | O21Biv—Na6—Na7 | 41.56 (12) |
C22C—C21C—C25C | 107.2 (6) | O22D—Na6—Na7 | 92.72 (12) |
C22C—C21C—C41C | 126.5 (6) | O21D—Na6—Na7 | 83.26 (12) |
C25C—C21C—C41C | 126.3 (6) | O21C—Na6—Na7 | 140.21 (15) |
C22C—C21C—Fe3 | 68.3 (4) | C2D—Na6—Na7 | 89.02 (15) |
C25C—C21C—Fe3 | 69.3 (4) | Na4ii—Na6—Na7 | 133.39 (9) |
C41C—C21C—Fe3 | 125.3 (4) | O11C—Na6—Na10 | 86.12 (12) |
C23C—C22C—C21C | 106.9 (6) | O11Bii—Na6—Na10 | 119.27 (13) |
C23C—C22C—Fe3 | 69.1 (3) | O21Biv—Na6—Na10 | 152.00 (14) |
C21C—C22C—Fe3 | 70.7 (4) | O22D—Na6—Na10 | 79.41 (11) |
C23C—C22C—H22C | 126.6 | O21D—Na6—Na10 | 40.93 (10) |
C21C—C22C—H22C | 126.6 | O21C—Na6—Na10 | 46.70 (11) |
Fe3—C22C—H22C | 125.1 | C2D—Na6—Na10 | 57.56 (14) |
C24C—C23C—C22C | 109.2 (6) | Na4ii—Na6—Na10 | 78.37 (8) |
C24C—C23C—Fe3 | 70.7 (4) | Na7—Na6—Na10 | 114.12 (9) |
C22C—C23C—Fe3 | 69.5 (3) | O11C—Na6—Na5iv | 105.90 (13) |
C24C—C23C—H23C | 125.4 | O11Bii—Na6—Na5iv | 80.50 (12) |
C22C—C23C—H23C | 125.4 | O21Biv—Na6—Na5iv | 44.27 (10) |
Fe3—C23C—H23C | 126.0 | O22D—Na6—Na5iv | 43.00 (10) |
C25C—C24C—C23C | 108.0 (6) | O21D—Na6—Na5iv | 80.90 (11) |
C25C—C24C—Fe3 | 70.4 (4) | O21C—Na6—Na5iv | 153.71 (14) |
C23C—C24C—Fe3 | 68.9 (4) | C2D—Na6—Na5iv | 61.07 (14) |
C25C—C24C—H24C | 126.0 | Na4ii—Na6—Na5iv | 72.62 (7) |
C23C—C24C—H24C | 126.0 | Na7—Na6—Na5iv | 61.92 (7) |
Fe3—C24C—H24C | 126.3 | Na10—Na6—Na5iv | 118.60 (8) |
C24C—C25C—C21C | 108.7 (6) | O11C—Na6—Na8 | 43.10 (11) |
C24C—C25C—Fe3 | 69.7 (4) | O11Bii—Na6—Na8 | 168.90 (13) |
C21C—C25C—Fe3 | 69.8 (4) | O21Biv—Na6—Na8 | 99.22 (13) |
C24C—C25C—H25C | 125.7 | O22D—Na6—Na8 | 85.31 (12) |
C21C—C25C—H25C | 125.7 | O21D—Na6—Na8 | 37.83 (11) |
Fe3—C25C—H25C | 126.5 | O21C—Na6—Na8 | 91.61 (13) |
C36C—C31C—C32C | 118.0 (6) | C2D—Na6—Na8 | 61.44 (16) |
C36C—C31C—C11C | 122.3 (6) | Na4ii—Na6—Na8 | 117.76 (8) |
C32C—C31C—C11C | 119.7 (7) | Na7—Na6—Na8 | 58.68 (7) |
C33C—C32C—C31C | 119.7 (6) | Na10—Na6—Na8 | 55.52 (7) |
C33C—C32C—H32C | 120.2 | Na5iv—Na6—Na8 | 93.59 (7) |
C31C—C32C—H32C | 120.2 | O21Biv—Na7—O22Bi | 154.62 (17) |
C32C—C33C—C34C | 122.6 (6) | O21Biv—Na7—O11C | 81.95 (16) |
C32C—C33C—H33C | 118.7 | O22Bi—Na7—O11C | 85.78 (16) |
C34C—C33C—H33C | 118.7 | O21Biv—Na7—O12D | 83.32 (16) |
C33C—C34C—C35C | 118.3 (6) | O22Bi—Na7—O12D | 122.03 (17) |
C33C—C34C—C1C | 121.9 (6) | O11C—Na7—O12D | 118.76 (16) |
C35C—C34C—C1C | 119.8 (6) | O21Biv—Na7—O11Biv | 90.73 (16) |
C36C—C35C—C34C | 119.3 (6) | O22Bi—Na7—O11Biv | 86.86 (16) |
C36C—C35C—H35C | 120.4 | O11C—Na7—O11Biv | 145.43 (15) |
C34C—C35C—H35C | 120.4 | O12D—Na7—O11Biv | 93.59 (14) |
C31C—C36C—C35C | 122.1 (6) | O21Biv—Na7—O11D | 123.65 (17) |
C31C—C36C—H36C | 119.0 | O22Bi—Na7—O11D | 78.89 (16) |
C35C—C36C—H36C | 119.0 | O11C—Na7—O11D | 92.60 (14) |
C46C—C41C—C42C | 118.0 (6) | O12D—Na7—O11D | 50.81 (13) |
C46C—C41C—C21C | 122.2 (6) | O11Biv—Na7—O11D | 118.94 (14) |
C42C—C41C—C21C | 119.7 (6) | O21Biv—Na7—C1D | 103.24 (19) |
C43C—C42C—C41C | 120.4 (6) | O22Bi—Na7—C1D | 101.43 (19) |
C43C—C42C—H42C | 119.8 | O11C—Na7—C1D | 105.66 (17) |
C41C—C42C—H42C | 119.8 | O12D—Na7—C1D | 25.55 (15) |
C44C—C43C—C42C | 121.5 (6) | O11Biv—Na7—C1D | 108.91 (17) |
C44C—C43C—H43C | 119.3 | O11D—Na7—C1D | 25.34 (15) |
C42C—C43C—H43C | 119.3 | O21Biv—Na7—C2Bi | 142.61 (17) |
C43C—C44C—C45C | 117.9 (6) | O22Bi—Na7—C2Bi | 22.12 (14) |
C43C—C44C—C2C | 120.9 (6) | O11C—Na7—C2Bi | 101.61 (18) |
C45C—C44C—C2C | 121.1 (6) | O12D—Na7—C2Bi | 124.14 (18) |
C46C—C45C—C44C | 120.5 (6) | O11Biv—Na7—C2Bi | 65.13 (17) |
C46C—C45C—H45C | 119.8 | O11D—Na7—C2Bi | 93.57 (17) |
C44C—C45C—H45C | 119.8 | C1D—Na7—C2Bi | 111.3 (2) |
C45C—C46C—C41C | 121.5 (6) | O21Biv—Na7—Na5i | 158.36 (14) |
C45C—C46C—H46C | 119.2 | O22Bi—Na7—Na5i | 46.17 (11) |
C41C—C46C—H46C | 119.2 | O11C—Na7—Na5i | 114.05 (14) |
C13D—Fe4—C25D | 162.2 (3) | O12D—Na7—Na5i | 76.22 (12) |
C13D—Fe4—C12D | 40.8 (2) | O11Biv—Na7—Na5i | 83.65 (12) |
C25D—Fe4—C12D | 155.2 (2) | O11D—Na7—Na5i | 45.13 (11) |
C13D—Fe4—C24D | 125.1 (3) | C1D—Na7—Na5i | 59.57 (15) |
C25D—Fe4—C24D | 41.3 (2) | C2Bi—Na7—Na5i | 51.69 (13) |
C12D—Fe4—C24D | 162.3 (3) | O21Biv—Na7—Na6 | 45.09 (12) |
C13D—Fe4—C14D | 40.5 (2) | O22Bi—Na7—Na6 | 128.61 (14) |
C25D—Fe4—C14D | 124.9 (3) | O11C—Na7—Na6 | 42.97 (12) |
C12D—Fe4—C14D | 68.3 (3) | O12D—Na7—Na6 | 88.72 (12) |
C24D—Fe4—C14D | 107.6 (3) | O11Biv—Na7—Na6 | 135.20 (14) |
C13D—Fe4—C23D | 108.0 (3) | O11D—Na7—Na6 | 96.70 (12) |
C25D—Fe4—C23D | 68.6 (3) | C1D—Na7—Na6 | 91.58 (15) |
C12D—Fe4—C23D | 126.1 (3) | C2Bi—Na7—Na6 | 143.34 (15) |
C24D—Fe4—C23D | 39.9 (2) | Na5i—Na7—Na6 | 139.65 (9) |
C14D—Fe4—C23D | 120.4 (3) | O21Biv—Na7—Na4iv | 85.56 (13) |
C13D—Fe4—C15D | 68.1 (3) | O22Bi—Na7—Na4iv | 111.35 (13) |
C25D—Fe4—C15D | 107.0 (3) | O11C—Na7—Na4iv | 160.23 (15) |
C12D—Fe4—C15D | 68.5 (3) | O12D—Na7—Na4iv | 44.08 (11) |
C24D—Fe4—C15D | 120.2 (3) | O11Biv—Na7—Na4iv | 49.51 (9) |
C14D—Fe4—C15D | 40.0 (2) | O11D—Na7—Na4iv | 81.62 (11) |
C23D—Fe4—C15D | 154.4 (3) | C1D—Na7—Na4iv | 62.45 (14) |
C13D—Fe4—C22D | 121.0 (3) | C2Bi—Na7—Na4iv | 97.63 (15) |
C25D—Fe4—C22D | 68.4 (3) | Na5i—Na7—Na4iv | 74.88 (8) |
C12D—Fe4—C22D | 108.7 (3) | Na6—Na7—Na4iv | 118.63 (9) |
C24D—Fe4—C22D | 67.4 (3) | O21Biv—Na7—Na8 | 107.96 (14) |
C14D—Fe4—C22D | 155.4 (3) | O22Bi—Na7—Na8 | 78.40 (13) |
C23D—Fe4—C22D | 40.2 (2) | O11C—Na7—Na8 | 46.54 (10) |
C15D—Fe4—C22D | 163.7 (2) | O12D—Na7—Na8 | 83.85 (12) |
C13D—Fe4—C21D | 155.7 (3) | O11Biv—Na7—Na8 | 160.63 (14) |
C25D—Fe4—C21D | 40.9 (2) | O11D—Na7—Na8 | 46.07 (10) |
C12D—Fe4—C21D | 120.5 (2) | C1D—Na7—Na8 | 62.67 (14) |
C24D—Fe4—C21D | 68.6 (2) | C2Bi—Na7—Na8 | 100.50 (15) |
C14D—Fe4—C21D | 162.3 (3) | Na5i—Na7—Na8 | 77.08 (8) |
C23D—Fe4—C21D | 68.5 (2) | Na6—Na7—Na8 | 64.08 (7) |
C15D—Fe4—C21D | 125.7 (3) | Na4iv—Na7—Na8 | 125.11 (8) |
C22D—Fe4—C21D | 40.7 (2) | O21D—Na8—O21Ai | 156.71 (17) |
C13D—Fe4—C11D | 68.7 (2) | O21D—Na8—O11D | 91.84 (17) |
C25D—Fe4—C11D | 119.5 (3) | O21Ai—Na8—O11D | 86.41 (17) |
C12D—Fe4—C11D | 41.1 (2) | O21D—Na8—O11C | 81.41 (16) |
C24D—Fe4—C11D | 155.0 (3) | O21Ai—Na8—O11C | 121.88 (17) |
C14D—Fe4—C11D | 68.1 (2) | O11D—Na8—O11C | 94.46 (15) |
C23D—Fe4—C11D | 163.7 (3) | O21D—Na8—O12E | 81.73 (16) |
C15D—Fe4—C11D | 40.6 (2) | O21Ai—Na8—O12E | 85.63 (16) |
C22D—Fe4—C11D | 126.7 (3) | O11D—Na8—O12E | 142.62 (15) |
C21D—Fe4—C11D | 107.6 (2) | O11C—Na8—O12E | 120.53 (15) |
C1D—O11D—Na5i | 115.0 (4) | O21D—Na8—O12C | 121.65 (17) |
C1D—O11D—Na8 | 122.4 (4) | O21Ai—Na8—O12C | 78.42 (16) |
Na5i—O11D—Na8 | 119.8 (2) | O11D—Na8—O12C | 120.60 (16) |
C1D—O11D—Na7 | 87.5 (4) | O11C—Na8—O12C | 51.69 (13) |
Na5i—O11D—Na7 | 82.32 (13) | O12E—Na8—O12C | 93.34 (14) |
Na8—O11D—Na7 | 83.52 (13) | O21D—Na8—C1C | 100.47 (19) |
C1D—O12D—Na5iv | 137.6 (4) | O21Ai—Na8—C1C | 101.83 (19) |
C1D—O12D—Na4iv | 127.7 (4) | O11D—Na8—C1C | 111.02 (18) |
Na5iv—O12D—Na4iv | 90.81 (17) | O11C—Na8—C1C | 25.84 (15) |
C1D—O12D—Na7 | 98.0 (4) | O12E—Na8—C1C | 106.36 (17) |
Na5iv—O12D—Na7 | 98.59 (16) | O12C—Na8—C1C | 26.05 (15) |
Na4iv—O12D—Na7 | 90.79 (15) | O21D—Na8—C2Ai | 143.67 (17) |
O11D—C1D—O12D | 123.3 (6) | O21Ai—Na8—C2Ai | 21.36 (14) |
O11D—C1D—C34D | 119.7 (6) | O11D—Na8—C2Ai | 65.99 (17) |
O12D—C1D—C34D | 117.0 (6) | O11C—Na8—C2Ai | 126.54 (18) |
O11D—C1D—Na7 | 67.2 (3) | O12E—Na8—C2Ai | 98.46 (18) |
O12D—C1D—Na7 | 56.4 (3) | O12C—Na8—C2Ai | 94.67 (17) |
C34D—C1D—Na7 | 171.3 (5) | C1C—Na8—C2Ai | 114.0 (2) |
C2D—O21D—Na8 | 145.2 (4) | O21D—Na8—Na3i | 157.28 (14) |
C2D—O21D—Na10 | 118.4 (4) | O21Ai—Na8—Na3i | 45.64 (11) |
Na8—O21D—Na10 | 93.35 (17) | O11D—Na8—Na3i | 84.77 (13) |
C2D—O21D—Na6 | 91.3 (4) | O11C—Na8—Na3i | 76.49 (12) |
Na8—O21D—Na6 | 99.96 (16) | O12E—Na8—Na3i | 114.11 (13) |
Na10—O21D—Na6 | 95.37 (15) | O12C—Na8—Na3i | 45.04 (11) |
C2D—O22D—Na4ii | 116.0 (4) | C1C—Na8—Na3i | 60.45 (15) |
C2D—O22D—Na6 | 92.4 (4) | C2Ai—Na8—Na3i | 53.58 (13) |
Na4ii—O22D—Na6 | 89.37 (15) | O21D—Na8—Na10 | 44.35 (12) |
C2D—O22D—Na5iv | 124.0 (4) | O21Ai—Na8—Na10 | 129.03 (14) |
Na4ii—O22D—Na5iv | 119.61 (19) | O11D—Na8—Na10 | 135.23 (15) |
Na6—O22D—Na5iv | 94.26 (15) | O11C—Na8—Na10 | 88.17 (12) |
O22D—C2D—O21D | 123.2 (6) | O12E—Na8—Na10 | 43.80 (11) |
O22D—C2D—C44D | 118.5 (6) | O12C—Na8—Na10 | 95.65 (12) |
O21D—C2D—C44D | 118.3 (6) | C1C—Na8—Na10 | 89.72 (15) |
O22D—C2D—Na6 | 61.2 (3) | C2Ai—Na8—Na10 | 141.32 (15) |
O21D—C2D—Na6 | 62.2 (3) | Na3i—Na8—Na10 | 138.63 (9) |
C44D—C2D—Na6 | 174.3 (4) | O21D—Na8—Na9 | 105.69 (14) |
O21D—C2D—Na4ii | 117.5 (4) | O21Ai—Na8—Na9 | 79.08 (13) |
C44D—C2D—Na4ii | 106.2 (4) | O11D—Na8—Na9 | 162.01 (15) |
Na6—C2D—Na4ii | 69.52 (16) | O11C—Na8—Na9 | 84.41 (12) |
C15D—C11D—C12D | 106.1 (5) | O12E—Na8—Na9 | 47.22 (10) |
C15D—C11D—C31D | 128.8 (6) | O12C—Na8—Na9 | 46.13 (10) |
C12D—C11D—C31D | 125.0 (6) | C1C—Na8—Na9 | 62.47 (15) |
C15D—C11D—Fe4 | 68.8 (4) | C2Ai—Na8—Na9 | 100.34 (15) |
C12D—C11D—Fe4 | 67.8 (3) | Na3i—Na8—Na9 | 77.50 (8) |
C31D—C11D—Fe4 | 128.4 (4) | Na10—Na8—Na9 | 62.74 (7) |
C13D—C12D—C11D | 108.2 (6) | O21D—Na8—Na7 | 85.13 (13) |
C13D—C12D—Fe4 | 69.3 (3) | O21Ai—Na8—Na7 | 110.94 (14) |
C11D—C12D—Fe4 | 71.1 (4) | O11D—Na8—Na7 | 50.41 (10) |
C13D—C12D—H12D | 125.9 | O11C—Na8—Na7 | 44.05 (10) |
C11D—C12D—H12D | 125.9 | O12E—Na8—Na7 | 161.53 (15) |
Fe4—C12D—H12D | 125.3 | O12C—Na8—Na7 | 82.56 (11) |
C14D—C13D—C12D | 108.4 (6) | C1C—Na8—Na7 | 63.37 (15) |
C14D—C13D—Fe4 | 70.7 (4) | C2Ai—Na8—Na7 | 99.81 (15) |
C12D—C13D—Fe4 | 69.9 (3) | Na3i—Na8—Na7 | 75.39 (8) |
C14D—C13D—H13D | 125.8 | Na10—Na8—Na7 | 118.45 (9) |
C12D—C13D—H13D | 125.8 | Na9—Na8—Na7 | 125.83 (8) |
Fe4—C13D—H13D | 125.2 | O22C—Na9—O22Ei | 150.79 (18) |
C15D—C14D—C13D | 108.3 (6) | O22C—Na9—O2W | 82.3 (2) |
C15D—C14D—Fe4 | 70.2 (4) | O22Ei—Na9—O2W | 95.5 (2) |
C13D—C14D—Fe4 | 68.8 (4) | O22C—Na9—O12C | 84.97 (17) |
C15D—C14D—H14D | 125.8 | O22Ei—Na9—O12C | 87.17 (17) |
C13D—C14D—H14D | 125.8 | O2W—Na9—O12C | 158.3 (2) |
Fe4—C14D—H14D | 126.8 | O22C—Na9—O12E | 83.42 (17) |
C14D—C15D—C11D | 109.0 (6) | O22Ei—Na9—O12E | 125.48 (18) |
C14D—C15D—Fe4 | 69.8 (4) | O2W—Na9—O12E | 99.31 (18) |
C11D—C15D—Fe4 | 70.6 (4) | O12C—Na9—O12E | 96.59 (15) |
C14D—C15D—H15D | 125.5 | O22C—Na9—O11E | 129.14 (18) |
C11D—C15D—H15D | 125.5 | O22Ei—Na9—O11E | 79.00 (16) |
Fe4—C15D—H15D | 125.7 | O2W—Na9—O11E | 83.23 (19) |
C25D—C21D—C22D | 106.2 (6) | O12C—Na9—O11E | 118.35 (16) |
C25D—C21D—C41D | 127.3 (6) | O12E—Na9—O11E | 51.52 (13) |
C22D—C21D—C41D | 126.5 (6) | O22C—Na9—C1E | 104.8 (2) |
C25D—C21D—Fe4 | 67.8 (3) | O22Ei—Na9—C1E | 104.1 (2) |
C22D—C21D—Fe4 | 69.0 (4) | O2W—Na9—C1E | 87.6 (2) |
C41D—C21D—Fe4 | 125.2 (4) | O12C—Na9—C1E | 112.75 (18) |
C23D—C22D—C21D | 109.1 (6) | O12E—Na9—C1E | 26.07 (16) |
C23D—C22D—Fe4 | 69.7 (4) | O11E—Na9—C1E | 26.04 (16) |
C21D—C22D—Fe4 | 70.2 (4) | O22C—Na9—Na1i | 155.99 (16) |
C23D—C22D—H22D | 125.5 | O22Ei—Na9—Na1i | 48.12 (12) |
C21D—C22D—H22D | 125.5 | O2W—Na9—Na1i | 116.06 (19) |
Fe4—C22D—H22D | 126.2 | O12C—Na9—Na1i | 81.51 (13) |
C24D—C23D—C22D | 108.2 (6) | O12E—Na9—Na1i | 78.56 (13) |
C24D—C23D—Fe4 | 69.5 (4) | O11E—Na9—Na1i | 45.61 (12) |
C22D—C23D—Fe4 | 70.1 (4) | C1E—Na9—Na1i | 63.16 (17) |
C24D—C23D—H23D | 125.9 | O22C—Na9—Na8 | 80.43 (14) |
C22D—C23D—H23D | 125.9 | O22Ei—Na9—Na8 | 114.37 (14) |
Fe4—C23D—H23D | 126.0 | O2W—Na9—Na8 | 144.47 (17) |
C23D—C24D—C25D | 108.7 (6) | O12C—Na9—Na8 | 48.56 (10) |
C23D—C24D—Fe4 | 70.6 (4) | O12E—Na9—Na8 | 48.03 (11) |
C25D—C24D—Fe4 | 68.9 (3) | O11E—Na9—Na8 | 84.00 (11) |
C23D—C24D—H24D | 125.6 | C1E—Na9—Na8 | 67.44 (15) |
C25D—C24D—H24D | 125.6 | Na1i—Na9—Na8 | 75.74 (8) |
Fe4—C24D—H24D | 126.4 | O22C—Na9—Na10 | 42.15 (12) |
C24D—C25D—C21D | 107.8 (6) | O22Ei—Na9—Na10 | 166.88 (14) |
C24D—C25D—Fe4 | 69.8 (3) | O2W—Na9—Na10 | 88.54 (16) |
C21D—C25D—Fe4 | 71.2 (3) | O12C—Na9—Na10 | 93.73 (13) |
C24D—C25D—H25D | 126.1 | O12E—Na9—Na10 | 41.41 (12) |
C21D—C25D—H25D | 126.1 | O11E—Na9—Na10 | 89.10 (12) |
Fe4—C25D—H25D | 124.5 | C1E—Na9—Na10 | 63.47 (17) |
C32D—C31D—C36D | 117.3 (6) | Na1i—Na9—Na10 | 119.06 (9) |
C32D—C31D—C11D | 121.1 (6) | Na8—Na9—Na10 | 58.22 (7) |
C36D—C31D—C11D | 121.6 (6) | O22C—Na9—Na3i | 111.99 (14) |
C31D—C32D—C33D | 121.7 (6) | O22Ei—Na9—Na3i | 68.05 (13) |
C31D—C32D—H32D | 119.1 | O2W—Na9—Na3i | 163.51 (18) |
C33D—C32D—H32D | 119.1 | O12C—Na9—Na3i | 28.44 (11) |
C32D—C33D—C34D | 120.0 (6) | O12E—Na9—Na3i | 90.79 (12) |
C32D—C33D—H33D | 120.0 | O11E—Na9—Na3i | 93.11 (12) |
C34D—C33D—H33D | 120.0 | C1E—Na9—Na3i | 96.22 (15) |
C35D—C34D—C33D | 118.7 (6) | Na1i—Na9—Na3i | 53.09 (7) |
C35D—C34D—C1D | 121.1 (6) | Na8—Na9—Na3i | 50.14 (6) |
C33D—C34D—C1D | 120.2 (6) | Na10—Na9—Na3i | 107.53 (8) |
C36D—C35D—C34D | 120.7 (6) | O12E—Na10—O12Aii | 142.68 (17) |
C36D—C35D—H35D | 119.7 | O12E—Na10—O21D | 84.40 (17) |
C34D—C35D—H35D | 119.7 | O12Aii—Na10—O21D | 88.77 (18) |
C35D—C36D—C31D | 121.7 (6) | O12E—Na10—O3W | 87.94 (19) |
C35D—C36D—H36D | 119.2 | O12Aii—Na10—O3W | 96.0 (2) |
C31D—C36D—H36D | 119.2 | O21D—Na10—O3W | 172.0 (2) |
C42D—C41D—C46D | 118.2 (6) | O12E—Na10—O22C | 82.79 (17) |
C42D—C41D—C21D | 121.3 (6) | O12Aii—Na10—O22C | 134.17 (19) |
C46D—C41D—C21D | 120.4 (6) | O21D—Na10—O22C | 105.54 (16) |
C43D—C42D—C41D | 121.1 (6) | O3W—Na10—O22C | 75.6 (2) |
C43D—C42D—H42D | 119.5 | O12E—Na10—O21C | 129.92 (17) |
C41D—C42D—H42D | 119.5 | O12Aii—Na10—O21C | 86.20 (17) |
C42D—C43D—C44D | 121.3 (6) | O21D—Na10—O21C | 87.64 (15) |
C42D—C43D—H43D | 119.3 | O3W—Na10—O21C | 99.00 (18) |
C44D—C43D—H43D | 119.3 | O22C—Na10—O21C | 52.20 (15) |
C45D—C44D—C43D | 117.8 (6) | O12E—Na10—C2C | 108.19 (19) |
C45D—C44D—C2D | 120.1 (6) | O12Aii—Na10—C2C | 109.1 (2) |
C43D—C44D—C2D | 122.1 (6) | O21D—Na10—C2C | 100.89 (17) |
C46D—C45D—C44D | 121.5 (6) | O3W—Na10—C2C | 83.6 (2) |
C46D—C45D—H45D | 119.2 | O22C—Na10—C2C | 26.28 (16) |
C44D—C45D—H45D | 119.2 | O21C—Na10—C2C | 26.44 (15) |
C45D—C46D—C41D | 120.0 (6) | O12E—Na10—Na8 | 48.80 (12) |
C45D—C46D—H46D | 120.0 | O12Aii—Na10—Na8 | 130.58 (15) |
C41D—C46D—H46D | 120.0 | O21D—Na10—Na8 | 42.30 (12) |
C12E—Fe5—C25E | 162.1 (3) | O3W—Na10—Na8 | 131.80 (18) |
C12E—Fe5—C13E | 40.5 (2) | O22C—Na10—Na8 | 78.41 (13) |
C25E—Fe5—C13E | 155.7 (3) | O21C—Na10—Na8 | 96.03 (12) |
C12E—Fe5—C15E | 68.7 (3) | C2C—Na10—Na8 | 90.53 (15) |
C25E—Fe5—C15E | 106.8 (3) | O12E—Na10—Na2ii | 162.13 (14) |
C13E—Fe5—C15E | 68.3 (3) | O12Aii—Na10—Na2ii | 52.60 (12) |
C12E—Fe5—C23E | 121.2 (3) | O21D—Na10—Na2ii | 108.22 (14) |
C25E—Fe5—C23E | 68.8 (3) | O3W—Na10—Na2ii | 79.74 (15) |
C13E—Fe5—C23E | 107.7 (3) | O22C—Na10—Na2ii | 81.64 (13) |
C15E—Fe5—C23E | 160.9 (3) | O21C—Na10—Na2ii | 41.44 (11) |
C12E—Fe5—C21E | 125.1 (3) | C2C—Na10—Na2ii | 57.87 (16) |
C25E—Fe5—C21E | 41.0 (2) | Na8—Na10—Na2ii | 135.03 (9) |
C13E—Fe5—C21E | 162.2 (3) | O12E—Na10—Na9 | 45.22 (11) |
C15E—Fe5—C21E | 120.6 (3) | O12Aii—Na10—Na9 | 169.43 (15) |
C23E—Fe5—C21E | 68.9 (2) | O21D—Na10—Na9 | 100.07 (14) |
C12E—Fe5—C24E | 155.8 (3) | O3W—Na10—Na9 | 75.87 (18) |
C25E—Fe5—C24E | 41.0 (2) | O22C—Na10—Na9 | 37.71 (12) |
C13E—Fe5—C24E | 120.6 (3) | O21C—Na10—Na9 | 88.36 (12) |
C15E—Fe5—C24E | 124.1 (3) | C2C—Na10—Na9 | 63.70 (16) |
C23E—Fe5—C24E | 40.5 (2) | Na8—Na10—Na9 | 59.04 (7) |
C21E—Fe5—C24E | 68.9 (2) | Na2ii—Na10—Na9 | 118.32 (8) |
C12E—Fe5—C14E | 68.4 (3) | O12E—Na10—Na6 | 111.36 (14) |
C25E—Fe5—C14E | 120.1 (3) | O12Aii—Na10—Na6 | 87.40 (14) |
C13E—Fe5—C14E | 40.8 (3) | O21D—Na10—Na6 | 43.70 (11) |
C15E—Fe5—C14E | 40.2 (2) | O3W—Na10—Na6 | 142.64 (16) |
C23E—Fe5—C14E | 124.7 (3) | O22C—Na10—Na6 | 75.58 (12) |
C21E—Fe5—C14E | 155.5 (3) | O21C—Na10—Na6 | 43.96 (10) |
C24E—Fe5—C14E | 107.1 (3) | C2C—Na10—Na6 | 60.42 (15) |
C12E—Fe5—C22E | 108.1 (3) | Na8—Na10—Na6 | 63.17 (7) |
C25E—Fe5—C22E | 68.6 (3) | Na2ii—Na10—Na6 | 73.01 (7) |
C13E—Fe5—C22E | 125.5 (3) | Na9—Na10—Na6 | 94.96 (8) |
C15E—Fe5—C22E | 156.3 (3) | O12E—Na10—H31 | 107.5 (8) |
C23E—Fe5—C22E | 41.1 (2) | O12Aii—Na10—H31 | 81.4 (14) |
C21E—Fe5—C22E | 40.7 (2) | O21D—Na10—H31 | 168.0 (8) |
C24E—Fe5—C22E | 68.7 (3) | O3W—Na10—H31 | 19.7 (8) |
C14E—Fe5—C22E | 162.4 (3) | O22C—Na10—H31 | 77.1 (17) |
C12E—Fe5—C11E | 41.5 (2) | O21C—Na10—H31 | 84.9 (12) |
C25E—Fe5—C11E | 123.9 (3) | C2C—Na10—H31 | 76.2 (15) |
C13E—Fe5—C11E | 68.9 (3) | Na8—Na10—H31 | 148.0 (14) |
C15E—Fe5—C11E | 40.7 (2) | Na2ii—Na10—H31 | 60.3 (7) |
C23E—Fe5—C11E | 157.1 (3) | Na9—Na10—H31 | 89.1 (15) |
C21E—Fe5—C11E | 107.0 (2) | Na6—Na10—H31 | 128.4 (10) |
C24E—Fe5—C11E | 161.0 (3) | H11—O1W—H12 | 103 (6) |
C14E—Fe5—C11E | 68.4 (3) | H21—O2W—H22 | 107 (6) |
C22E—Fe5—C11E | 121.2 (3) | H31—O3W—H32 | 102 (6) |
C1E—O11E—Na1i | 123.4 (4) | ||
Na10i—O12A—C1A—O11A | 82.8 (8) | Na10i—Na2—Na3—Na4 | −14.29 (12) |
Na2—O12A—C1A—O11A | 1.6 (7) | O11A—Na1—Na3—O12B | −19.66 (17) |
Na4—O12A—C1A—O11A | −70.7 (8) | O11Eii—Na1—Na3—O12B | −174.75 (18) |
Na10i—O12A—C1A—C34A | −98.7 (7) | O21A—Na1—Na3—O12B | −114.7 (2) |
Na2—O12A—C1A—C34A | −180.0 (6) | O22E—Na1—Na3—O12B | 104.78 (18) |
Na4—O12A—C1A—C34A | 107.8 (6) | O21E—Na1—Na3—O12B | 64.27 (19) |
Na10i—O12A—C1A—Na2 | 81.2 (4) | C2E—Na1—Na3—O12B | 86.2 (2) |
Na4—O12A—C1A—Na2 | −72.3 (3) | Na9ii—Na1—Na3—O12B | 151.85 (13) |
Na1—O11A—C1A—O12A | 119.8 (8) | Na2—Na1—Na3—O12B | 13.24 (12) |
Na2—O11A—C1A—O12A | −1.8 (8) | Na8ii—Na1—Na3—O12B | −154.61 (14) |
Na1—O11A—C1A—C34A | −58.7 (11) | O11A—Na1—Na3—O12Cii | −172.81 (17) |
Na2—O11A—C1A—C34A | 179.6 (5) | O11Eii—Na1—Na3—O12Cii | 32.10 (19) |
Na1—O11A—C1A—Na2 | 121.6 (8) | O21A—Na1—Na3—O12Cii | 92.1 (2) |
Na8ii—O21A—C2A—O22A | 93.8 (7) | O22E—Na1—Na3—O12Cii | −48.37 (17) |
Na1—O21A—C2A—O22A | −102.8 (6) | O21E—Na1—Na3—O12Cii | −88.88 (18) |
Na3—O21A—C2A—O22A | −1.6 (7) | C2E—Na1—Na3—O12Cii | −66.90 (19) |
Na8ii—O21A—C2A—C44A | −85.7 (6) | Na9ii—Na1—Na3—O12Cii | −1.30 (12) |
Na1—O21A—C2A—C44A | 77.7 (7) | Na2—Na1—Na3—O12Cii | −139.91 (13) |
Na3—O21A—C2A—C44A | 178.9 (5) | Na8ii—Na1—Na3—O12Cii | 52.24 (11) |
Na8ii—O21A—C2A—Na3 | 95.4 (3) | O11A—Na1—Na3—O21A | 95.1 (2) |
Na1—O21A—C2A—Na3 | −101.2 (4) | O11Eii—Na1—Na3—O21A | −60.0 (2) |
Na1—O21A—C2A—Na8ii | 163.4 (6) | O22E—Na1—Na3—O21A | −140.5 (2) |
Na3—O21A—C2A—Na8ii | −95.4 (3) | O21E—Na1—Na3—O21A | 179.0 (2) |
Na4—O22A—C2A—O21A | 93.1 (9) | C2E—Na1—Na3—O21A | −159.0 (2) |
Na5—O22A—C2A—O21A | −84.5 (7) | Na9ii—Na1—Na3—O21A | −93.44 (18) |
Na3—O22A—C2A—O21A | 1.4 (6) | Na2—Na1—Na3—O21A | 127.95 (18) |
Na4—O22A—C2A—C44A | −87.5 (8) | Na8ii—Na1—Na3—O21A | −39.90 (17) |
Na5—O22A—C2A—C44A | 94.9 (6) | O11A—Na1—Na3—O22B | 112.2 (3) |
Na3—O22A—C2A—C44A | −179.1 (5) | O11Eii—Na1—Na3—O22B | −42.9 (4) |
Na4—O22A—C2A—Na3 | 91.7 (6) | O21A—Na1—Na3—O22B | 17.1 (3) |
Na5—O22A—C2A—Na3 | −86.0 (3) | O22E—Na1—Na3—O22B | −123.4 (3) |
Na4—O22A—C2A—Na8ii | 140.8 (5) | O21E—Na1—Na3—O22B | −163.9 (4) |
Na5—O22A—C2A—Na8ii | −36.8 (5) | C2E—Na1—Na3—O22B | −141.9 (4) |
Na3—O22A—C2A—Na8ii | 49.1 (3) | Na9ii—Na1—Na3—O22B | −76.3 (3) |
C22A—Fe1—C11A—C12A | −82.5 (4) | Na2—Na1—Na3—O22B | 145.1 (3) |
C14A—Fe1—C11A—C12A | 80.8 (4) | Na8ii—Na1—Na3—O22B | −22.8 (3) |
C23A—Fe1—C11A—C12A | −46.1 (8) | O11A—Na1—Na3—O21E | −83.9 (2) |
C15A—Fe1—C11A—C12A | 118.5 (5) | O11Eii—Na1—Na3—O21E | 121.0 (2) |
C13A—Fe1—C11A—C12A | 36.9 (4) | O21A—Na1—Na3—O21E | −179.0 (2) |
C21A—Fe1—C11A—C12A | −124.9 (4) | O22E—Na1—Na3—O21E | 40.51 (18) |
C24A—Fe1—C11A—C12A | 157.8 (7) | C2E—Na1—Na3—O21E | 22.0 (2) |
C25A—Fe1—C11A—C12A | −167.0 (4) | Na9ii—Na1—Na3—O21E | 87.58 (16) |
C22A—Fe1—C11A—C15A | 159.1 (4) | Na2—Na1—Na3—O21E | −51.03 (15) |
C14A—Fe1—C11A—C15A | −37.7 (4) | Na8ii—Na1—Na3—O21E | 141.12 (17) |
C23A—Fe1—C11A—C15A | −164.6 (6) | O11A—Na1—Na3—O22A | 54.55 (16) |
C13A—Fe1—C11A—C15A | −81.6 (4) | O11Eii—Na1—Na3—O22A | −100.55 (19) |
C21A—Fe1—C11A—C15A | 116.6 (4) | O21A—Na1—Na3—O22A | −40.50 (19) |
C12A—Fe1—C11A—C15A | −118.5 (5) | O22E—Na1—Na3—O22A | 178.99 (17) |
C24A—Fe1—C11A—C15A | 39.3 (9) | O21E—Na1—Na3—O22A | 138.47 (19) |
C25A—Fe1—C11A—C15A | 74.5 (5) | C2E—Na1—Na3—O22A | 160.5 (2) |
C22A—Fe1—C11A—C31A | 39.4 (7) | Na9ii—Na1—Na3—O22A | −133.94 (12) |
C14A—Fe1—C11A—C31A | −157.4 (7) | Na2—Na1—Na3—O22A | 87.44 (12) |
C23A—Fe1—C11A—C31A | 75.7 (9) | Na8ii—Na1—Na3—O22A | −80.40 (12) |
C15A—Fe1—C11A—C31A | −119.7 (8) | O11A—Na1—Na3—C2A | 70.8 (2) |
C13A—Fe1—C11A—C31A | 158.7 (7) | O11Eii—Na1—Na3—C2A | −84.3 (2) |
C21A—Fe1—C11A—C31A | −3.1 (7) | O21A—Na1—Na3—C2A | −24.2 (2) |
C12A—Fe1—C11A—C31A | 121.8 (8) | O22E—Na1—Na3—C2A | −164.7 (2) |
C24A—Fe1—C11A—C31A | −80.4 (10) | O21E—Na1—Na3—C2A | 154.8 (2) |
C25A—Fe1—C11A—C31A | −45.2 (7) | C2E—Na1—Na3—C2A | 176.7 (2) |
C15A—C11A—C12A—C13A | −1.0 (8) | Na9ii—Na1—Na3—C2A | −117.66 (18) |
C31A—C11A—C12A—C13A | 177.1 (6) | Na2—Na1—Na3—C2A | 103.73 (18) |
Fe1—C11A—C12A—C13A | −59.4 (5) | Na8ii—Na1—Na3—C2A | −64.12 (17) |
C15A—C11A—C12A—Fe1 | 58.4 (4) | O11A—Na1—Na3—Na8ii | 134.95 (14) |
C31A—C11A—C12A—Fe1 | −123.5 (6) | O11Eii—Na1—Na3—Na8ii | −20.14 (16) |
C22A—Fe1—C12A—C13A | −123.1 (4) | O21A—Na1—Na3—Na8ii | 39.90 (17) |
C14A—Fe1—C12A—C13A | 37.4 (4) | O22E—Na1—Na3—Na8ii | −100.61 (14) |
C23A—Fe1—C12A—C13A | −79.4 (5) | O21E—Na1—Na3—Na8ii | −141.12 (17) |
C15A—Fe1—C12A—C13A | 81.4 (4) | C2E—Na1—Na3—Na8ii | −119.14 (17) |
C21A—Fe1—C12A—C13A | −165.3 (4) | Na9ii—Na1—Na3—Na8ii | −53.54 (7) |
C24A—Fe1—C12A—C13A | −42.5 (8) | Na2—Na1—Na3—Na8ii | 167.85 (8) |
C25A—Fe1—C12A—C13A | 157.8 (8) | O11A—Na1—Na3—Na2 | −32.90 (13) |
C11A—Fe1—C12A—C13A | 120.0 (6) | O11Eii—Na1—Na3—Na2 | 172.01 (17) |
C22A—Fe1—C12A—C11A | 116.9 (4) | O21A—Na1—Na3—Na2 | −127.95 (18) |
C14A—Fe1—C12A—C11A | −82.6 (4) | O22E—Na1—Na3—Na2 | 91.54 (14) |
C23A—Fe1—C12A—C11A | 160.6 (4) | O21E—Na1—Na3—Na2 | 51.03 (15) |
C15A—Fe1—C12A—C11A | −38.6 (4) | C2E—Na1—Na3—Na2 | 73.01 (16) |
C13A—Fe1—C12A—C11A | −120.0 (6) | Na9ii—Na1—Na3—Na2 | 138.61 (9) |
C21A—Fe1—C12A—C11A | 74.7 (5) | Na8ii—Na1—Na3—Na2 | −167.85 (8) |
C24A—Fe1—C12A—C11A | −162.5 (6) | O11A—Na1—Na3—Na5 | 72.60 (16) |
C25A—Fe1—C12A—C11A | 37.8 (10) | O11Eii—Na1—Na3—Na5 | −82.50 (18) |
C11A—C12A—C13A—C14A | 1.1 (8) | O21A—Na1—Na3—Na5 | −22.45 (18) |
Fe1—C12A—C13A—C14A | −58.6 (5) | O22E—Na1—Na3—Na5 | −162.96 (15) |
C11A—C12A—C13A—Fe1 | 59.7 (5) | O21E—Na1—Na3—Na5 | 156.53 (19) |
C22A—Fe1—C13A—C12A | 76.9 (5) | C2E—Na1—Na3—Na5 | 178.50 (19) |
C14A—Fe1—C13A—C12A | −120.1 (6) | Na9ii—Na1—Na3—Na5 | −115.89 (11) |
C23A—Fe1—C13A—C12A | 118.6 (4) | Na2—Na1—Na3—Na5 | 105.49 (11) |
C15A—Fe1—C13A—C12A | −81.9 (4) | Na8ii—Na1—Na3—Na5 | −62.35 (10) |
C21A—Fe1—C13A—C12A | 42.8 (10) | O11A—Na1—Na3—Na4 | 19.74 (14) |
C24A—Fe1—C13A—C12A | 161.5 (4) | O11Eii—Na1—Na3—Na4 | −135.36 (16) |
C25A—Fe1—C13A—C12A | −164.1 (5) | O21A—Na1—Na3—Na4 | −75.32 (17) |
C11A—Fe1—C13A—C12A | −37.3 (4) | O22E—Na1—Na3—Na4 | 144.18 (14) |
C22A—Fe1—C13A—C14A | −162.9 (4) | O21E—Na1—Na3—Na4 | 103.66 (16) |
C23A—Fe1—C13A—C14A | −121.3 (4) | C2E—Na1—Na3—Na4 | 125.64 (17) |
C15A—Fe1—C13A—C14A | 38.2 (4) | Na9ii—Na1—Na3—Na4 | −168.75 (8) |
C21A—Fe1—C13A—C14A | 162.9 (7) | Na2—Na1—Na3—Na4 | 52.63 (7) |
C12A—Fe1—C13A—C14A | 120.1 (6) | Na8ii—Na1—Na3—Na4 | −115.22 (8) |
C24A—Fe1—C13A—C14A | −78.4 (5) | C2A—O22A—Na4—O22Di | 83.2 (8) |
C25A—Fe1—C13A—C14A | −44.0 (8) | Na5—O22A—Na4—O22Di | −98.8 (4) |
C11A—Fe1—C13A—C14A | 82.8 (4) | Na3—O22A—Na4—O22Di | 171.8 (3) |
C12A—C13A—C14A—C15A | −0.8 (8) | C2A—O22A—Na4—O12B | −84.7 (7) |
Fe1—C13A—C14A—C15A | −59.9 (5) | Na5—O22A—Na4—O12B | 93.33 (15) |
C12A—C13A—C14A—Fe1 | 59.2 (5) | Na3—O22A—Na4—O12B | 3.97 (15) |
C22A—Fe1—C14A—C15A | 167.3 (9) | C2A—O22A—Na4—O12Diii | 154.6 (7) |
C23A—Fe1—C14A—C15A | −164.0 (4) | Na5—O22A—Na4—O12Diii | −27.38 (14) |
C13A—Fe1—C14A—C15A | 118.4 (6) | Na3—O22A—Na4—O12Diii | −116.75 (15) |
C21A—Fe1—C14A—C15A | −49.1 (9) | C2A—O22A—Na4—O11B | −117.3 (7) |
C12A—Fe1—C14A—C15A | 81.7 (4) | Na5—O22A—Na4—O11B | 60.7 (2) |
C24A—Fe1—C14A—C15A | −122.8 (5) | Na3—O22A—Na4—O11B | −28.7 (2) |
C25A—Fe1—C14A—C15A | −81.0 (5) | C2A—O22A—Na4—C1B | −99.9 (7) |
C11A—Fe1—C14A—C15A | 38.1 (4) | Na5—O22A—Na4—C1B | 78.11 (19) |
C22A—Fe1—C14A—C13A | 48.9 (12) | Na3—O22A—Na4—C1B | −11.3 (2) |
C23A—Fe1—C14A—C13A | 77.6 (5) | C2A—O22A—Na4—O12A | 6.4 (7) |
C15A—Fe1—C14A—C13A | −118.4 (6) | Na5—O22A—Na4—O12A | −175.61 (14) |
C21A—Fe1—C14A—C13A | −167.6 (6) | Na3—O22A—Na4—O12A | 95.03 (14) |
C12A—Fe1—C14A—C13A | −36.7 (4) | C2A—O22A—Na4—C2Di | 52.0 (8) |
C24A—Fe1—C14A—C13A | 118.7 (4) | Na5—O22A—Na4—C2Di | −130.0 (2) |
C25A—Fe1—C14A—C13A | 160.6 (4) | Na3—O22A—Na4—C2Di | 140.6 (2) |
C11A—Fe1—C14A—C13A | −80.3 (4) | C2A—O22A—Na4—Na6i | −58.2 (9) |
C13A—C14A—C15A—C11A | 0.1 (8) | Na5—O22A—Na4—Na6i | 119.8 (4) |
Fe1—C14A—C15A—C11A | −60.0 (4) | Na3—O22A—Na4—Na6i | 30.5 (5) |
C13A—C14A—C15A—Fe1 | 60.2 (5) | C2A—O22A—Na4—Na5 | −178.0 (8) |
C12A—C11A—C15A—C14A | 0.5 (7) | Na3—O22A—Na4—Na5 | −89.36 (15) |
C31A—C11A—C15A—C14A | −177.6 (6) | C2A—O22A—Na4—Na7iii | −168.6 (7) |
Fe1—C11A—C15A—C14A | 59.4 (4) | Na5—O22A—Na4—Na7iii | 9.38 (15) |
C12A—C11A—C15A—Fe1 | −58.9 (5) | Na3—O22A—Na4—Na7iii | −79.99 (14) |
C31A—C11A—C15A—Fe1 | 122.9 (6) | C2A—O22A—Na4—Na2 | −43.2 (7) |
C22A—Fe1—C15A—C14A | −169.8 (7) | Na5—O22A—Na4—Na2 | 134.83 (12) |
C23A—Fe1—C15A—C14A | 42.9 (11) | Na3—O22A—Na4—Na2 | 45.46 (11) |
C13A—Fe1—C15A—C14A | −38.1 (4) | C1B—O12B—Na4—O22A | −144.8 (4) |
C21A—Fe1—C15A—C14A | 158.7 (5) | Na3—O12B—Na4—O22A | −4.79 (18) |
C12A—Fe1—C15A—C14A | −81.3 (5) | Na2—O12B—Na4—O22A | 89.43 (17) |
C24A—Fe1—C15A—C14A | 75.0 (5) | C1B—O12B—Na4—O22Di | 42.5 (4) |
C25A—Fe1—C15A—C14A | 116.4 (5) | Na3—O12B—Na4—O22Di | −177.44 (18) |
C11A—Fe1—C15A—C14A | −119.2 (6) | Na2—O12B—Na4—O22Di | −83.2 (2) |
C22A—Fe1—C15A—C11A | −50.6 (9) | C1B—O12B—Na4—O12Diii | −66.2 (4) |
C14A—Fe1—C15A—C11A | 119.2 (6) | Na3—O12B—Na4—O12Diii | 73.9 (2) |
C23A—Fe1—C15A—C11A | 162.0 (8) | Na2—O12B—Na4—O12Diii | 168.12 (18) |
C13A—Fe1—C15A—C11A | 81.0 (4) | C1B—O12B—Na4—O11B | 2.0 (4) |
C21A—Fe1—C15A—C11A | −82.1 (5) | Na3—O12B—Na4—O11B | 142.1 (2) |
C12A—Fe1—C15A—C11A | 37.9 (4) | Na2—O12B—Na4—O11B | −123.7 (2) |
C24A—Fe1—C15A—C11A | −165.9 (4) | Na3—O12B—Na4—C1B | 140.1 (4) |
C25A—Fe1—C15A—C11A | −124.4 (4) | Na2—O12B—Na4—C1B | −125.7 (4) |
C14A—Fe1—C21A—C22A | −163.2 (6) | C1B—O12B—Na4—O12A | 126.4 (4) |
C23A—Fe1—C21A—C22A | −37.4 (4) | Na3—O12B—Na4—O12A | −93.52 (17) |
C15A—Fe1—C21A—C22A | 161.6 (4) | Na2—O12B—Na4—O12A | 0.70 (17) |
C13A—Fe1—C21A—C22A | 44.5 (10) | C1B—O12B—Na4—C2Di | 68.4 (4) |
C12A—Fe1—C21A—C22A | 77.1 (5) | Na3—O12B—Na4—C2Di | −151.58 (19) |
C24A—Fe1—C21A—C22A | −81.4 (4) | Na2—O12B—Na4—C2Di | −57.4 (2) |
C25A—Fe1—C21A—C22A | −118.9 (5) | C1B—O12B—Na4—Na6i | 44.1 (4) |
C11A—Fe1—C21A—C22A | 118.3 (4) | Na3—O12B—Na4—Na6i | −175.85 (16) |
C22A—Fe1—C21A—C25A | 118.9 (5) | Na2—O12B—Na4—Na6i | −81.63 (14) |
C14A—Fe1—C21A—C25A | −44.4 (8) | C1B—O12B—Na4—Na5 | −98.8 (4) |
C23A—Fe1—C21A—C25A | 81.5 (4) | Na3—O12B—Na4—Na5 | 41.27 (15) |
C15A—Fe1—C21A—C25A | −79.5 (4) | Na2—O12B—Na4—Na5 | 135.49 (14) |
C13A—Fe1—C21A—C25A | 163.3 (8) | C1B—O12B—Na4—Na7iii | −34.7 (4) |
C12A—Fe1—C21A—C25A | −164.0 (4) | Na3—O12B—Na4—Na7iii | 105.34 (15) |
C24A—Fe1—C21A—C25A | 37.4 (3) | Na2—O12B—Na4—Na7iii | −160.44 (15) |
C11A—Fe1—C21A—C25A | −122.9 (4) | C1B—O12B—Na4—Na2 | 125.7 (4) |
C22A—Fe1—C21A—C41A | −121.8 (8) | Na3—O12B—Na4—Na2 | −94.22 (19) |
C14A—Fe1—C21A—C41A | 75.0 (9) | C1B—O11B—Na4—O22A | 41.0 (4) |
C23A—Fe1—C21A—C41A | −159.2 (7) | Na6i—O11B—Na4—O22A | 155.6 (2) |
C15A—Fe1—C21A—C41A | 39.8 (7) | Na7iii—O11B—Na4—O22A | −83.2 (2) |
C13A—Fe1—C21A—C41A | −77.3 (10) | C1B—O11B—Na4—O22Di | −149.2 (4) |
C12A—Fe1—C21A—C41A | −44.7 (7) | Na6i—O11B—Na4—O22Di | −34.63 (14) |
C24A—Fe1—C21A—C41A | 156.7 (7) | Na7iii—O11B—Na4—O22Di | 86.58 (15) |
C25A—Fe1—C21A—C41A | 119.3 (7) | C1B—O11B—Na4—O12B | −2.0 (4) |
C11A—Fe1—C21A—C41A | −3.5 (7) | Na6i—O11B—Na4—O12B | 112.55 (19) |
C25A—C21A—C22A—C23A | −0.5 (8) | Na7iii—O11B—Na4—O12B | −126.2 (2) |
C41A—C21A—C22A—C23A | −179.6 (6) | C1B—O11B—Na4—O12Diii | 124.0 (4) |
Fe1—C21A—C22A—C23A | 59.2 (5) | Na6i—O11B—Na4—O12Diii | −121.39 (16) |
C25A—C21A—C22A—Fe1 | −59.7 (4) | Na7iii—O11B—Na4—O12Diii | −0.18 (16) |
C41A—C21A—C22A—Fe1 | 121.2 (7) | Na6i—O11B—Na4—C1B | 114.6 (4) |
C14A—Fe1—C22A—C21A | 157.9 (9) | Na7iii—O11B—Na4—C1B | −124.2 (4) |
C23A—Fe1—C22A—C21A | 120.3 (6) | C1B—O11B—Na4—O12A | −69.9 (4) |
C15A—Fe1—C22A—C21A | −43.6 (10) | Na6i—O11B—Na4—O12A | 44.65 (19) |
C13A—Fe1—C22A—C21A | −164.9 (4) | Na7iii—O11B—Na4—O12A | 165.86 (16) |
C12A—Fe1—C22A—C21A | −123.4 (4) | C1B—O11B—Na4—C2Di | −131.8 (4) |
C24A—Fe1—C22A—C21A | 82.1 (4) | Na6i—O11B—Na4—C2Di | −17.26 (17) |
C25A—Fe1—C22A—C21A | 38.1 (4) | Na7iii—O11B—Na4—C2Di | 103.95 (17) |
C11A—Fe1—C22A—C21A | −80.4 (5) | C1B—O11B—Na4—Na6i | −114.6 (4) |
C14A—Fe1—C22A—C23A | 37.6 (12) | Na7iii—O11B—Na4—Na6i | 121.21 (17) |
C15A—Fe1—C22A—C23A | −163.9 (7) | C1B—O11B—Na4—Na5 | 80.4 (4) |
C13A—Fe1—C22A—C23A | 74.8 (5) | Na6i—O11B—Na4—Na5 | −164.97 (12) |
C21A—Fe1—C22A—C23A | −120.3 (6) | Na7iii—O11B—Na4—Na5 | −43.76 (13) |
C12A—Fe1—C22A—C23A | 116.3 (4) | C1B—O11B—Na4—Na7iii | 124.2 (4) |
C24A—Fe1—C22A—C23A | −38.2 (4) | Na6i—O11B—Na4—Na7iii | −121.21 (17) |
C25A—Fe1—C22A—C23A | −82.2 (4) | C1B—O11B—Na4—Na2 | −36.0 (4) |
C11A—Fe1—C22A—C23A | 159.3 (4) | Na6i—O11B—Na4—Na2 | 78.60 (11) |
C21A—C22A—C23A—C24A | 0.5 (8) | Na7iii—O11B—Na4—Na2 | −160.19 (13) |
Fe1—C22A—C23A—C24A | 60.2 (5) | O11B—C1B—Na4—O22A | −147.0 (4) |
C21A—C22A—C23A—Fe1 | −59.6 (5) | O12B—C1B—Na4—O22A | 36.7 (4) |
C14A—Fe1—C23A—C22A | −166.6 (4) | O11B—C1B—Na4—O22Di | 31.4 (4) |
C15A—Fe1—C23A—C22A | 161.2 (8) | O12B—C1B—Na4—O22Di | −144.9 (4) |
C13A—Fe1—C23A—C22A | −124.7 (4) | O11B—C1B—Na4—O12B | 176.3 (6) |
C21A—Fe1—C23A—C22A | 37.0 (4) | O11B—C1B—Na4—O12Diii | −59.9 (4) |
C12A—Fe1—C23A—C22A | −83.3 (5) | O12B—C1B—Na4—O12Diii | 123.8 (4) |
C24A—Fe1—C23A—C22A | 118.5 (6) | O12B—C1B—Na4—O11B | −176.3 (6) |
C25A—Fe1—C23A—C22A | 81.0 (4) | O11B—C1B—Na4—O12A | 119.5 (4) |
C11A—Fe1—C23A—C22A | −50.0 (8) | O12B—C1B—Na4—O12A | −56.8 (4) |
C22A—Fe1—C23A—C24A | −118.5 (6) | O11B—C1B—Na4—C2Di | 52.7 (4) |
C14A—Fe1—C23A—C24A | 74.8 (5) | O12B—C1B—Na4—C2Di | −123.6 (4) |
C15A—Fe1—C23A—C24A | 42.7 (10) | O11B—C1B—Na4—Na6i | 48.2 (3) |
C13A—Fe1—C23A—C24A | 116.7 (4) | O12B—C1B—Na4—Na6i | −128.1 (4) |
C21A—Fe1—C23A—C24A | −81.5 (4) | O11B—C1B—Na4—Na5 | −102.0 (4) |
C12A—Fe1—C23A—C24A | 158.2 (4) | O12B—C1B—Na4—Na5 | 81.7 (4) |
C25A—Fe1—C23A—C24A | −37.5 (4) | O11B—C1B—Na4—Na7iii | −42.5 (3) |
C11A—Fe1—C23A—C24A | −168.5 (6) | O12B—C1B—Na4—Na7iii | 141.2 (4) |
C22A—C23A—C24A—C25A | −0.4 (7) | O11B—C1B—Na4—Na2 | 137.9 (4) |
Fe1—C23A—C24A—C25A | 59.0 (4) | O12B—C1B—Na4—Na2 | −38.5 (3) |
C22A—C23A—C24A—Fe1 | −59.4 (4) | C1A—O12A—Na4—O22A | −8.4 (5) |
C22A—Fe1—C24A—C23A | 38.3 (4) | Na10i—O12A—Na4—O22A | −165.74 (19) |
C14A—Fe1—C24A—C23A | −123.1 (4) | Na2—O12A—Na4—O22A | −85.68 (15) |
C15A—Fe1—C24A—C23A | −164.1 (4) | C1A—O12A—Na4—O22Di | −159.0 (5) |
C13A—Fe1—C24A—C23A | −81.5 (5) | Na10i—O12A—Na4—O22Di | 43.70 (19) |
C21A—Fe1—C24A—C23A | 82.0 (4) | Na2—O12A—Na4—O22Di | 123.76 (14) |
C12A—Fe1—C24A—C23A | −51.3 (8) | C1A—O12A—Na4—O12B | 76.6 (5) |
C25A—Fe1—C24A—C23A | 119.5 (5) | Na10i—O12A—Na4—O12B | −80.7 (2) |
C11A—Fe1—C24A—C23A | 166.0 (7) | Na2—O12A—Na4—O12B | −0.61 (15) |
C22A—Fe1—C24A—C25A | −81.2 (4) | C1A—O12A—Na4—O12Diii | −82.9 (6) |
C14A—Fe1—C24A—C25A | 117.4 (4) | Na10i—O12A—Na4—O12Diii | 119.8 (3) |
C23A—Fe1—C24A—C25A | −119.5 (5) | Na2—O12A—Na4—O12Diii | −160.1 (3) |
C15A—Fe1—C24A—C25A | 76.4 (4) | C1A—O12A—Na4—O11B | 123.5 (5) |
C13A—Fe1—C24A—C25A | 158.9 (4) | Na10i—O12A—Na4—O11B | −33.8 (2) |
C21A—Fe1—C24A—C25A | −37.5 (3) | Na2—O12A—Na4—O11B | 46.25 (18) |
C12A—Fe1—C24A—C25A | −170.8 (6) | C1A—O12A—Na4—C1B | 98.1 (5) |
C11A—Fe1—C24A—C25A | 46.5 (9) | Na10i—O12A—Na4—C1B | −59.2 (2) |
C23A—C24A—C25A—C21A | 0.1 (7) | Na2—O12A—Na4—C1B | 20.9 (2) |
Fe1—C24A—C25A—C21A | 58.4 (4) | C1A—O12A—Na4—C2Di | −156.1 (5) |
C23A—C24A—C25A—Fe1 | −58.3 (5) | Na10i—O12A—Na4—C2Di | 46.6 (2) |
C22A—C21A—C25A—C24A | 0.2 (7) | Na2—O12A—Na4—C2Di | 126.67 (18) |
C41A—C21A—C25A—C24A | 179.4 (6) | C1A—O12A—Na4—Na6i | 153.5 (5) |
Fe1—C21A—C25A—C24A | −58.7 (4) | Na10i—O12A—Na4—Na6i | −3.75 (16) |
C22A—C21A—C25A—Fe1 | 58.9 (4) | Na2—O12A—Na4—Na6i | 76.31 (10) |
C41A—C21A—C25A—Fe1 | −122.0 (6) | C1A—O12A—Na4—Na5 | −12.9 (5) |
C22A—Fe1—C25A—C24A | 82.0 (4) | Na10i—O12A—Na4—Na5 | −170.20 (13) |
C14A—Fe1—C25A—C24A | −79.6 (4) | Na2—O12A—Na4—Na5 | −90.13 (16) |
C23A—Fe1—C25A—C24A | 37.7 (3) | C1A—O12A—Na4—Na7iii | 157.1 (5) |
C15A—Fe1—C25A—C24A | −121.9 (4) | Na10i—O12A—Na4—Na7iii | −0.2 (5) |
C13A—Fe1—C25A—C24A | −48.2 (8) | Na2—O12A—Na4—Na7iii | 79.8 (4) |
C21A—Fe1—C25A—C24A | 119.8 (5) | C1A—O12A—Na4—Na2 | 77.2 (5) |
C12A—Fe1—C25A—C24A | 167.6 (8) | Na10i—O12A—Na4—Na2 | −80.06 (16) |
C11A—Fe1—C25A—C24A | −163.4 (4) | O21E—Na2—Na4—O22A | −37.17 (17) |
C22A—Fe1—C25A—C21A | −37.8 (3) | O21Ci—Na2—Na4—O22A | 179.76 (16) |
C14A—Fe1—C25A—C21A | 160.6 (4) | O1W—Na2—Na4—O22A | 117.6 (4) |
C23A—Fe1—C25A—C21A | −82.1 (4) | O12B—Na2—Na4—O22A | −87.2 (2) |
C15A—Fe1—C25A—C21A | 118.3 (4) | O11A—Na2—Na4—O22A | 50.15 (17) |
C13A—Fe1—C25A—C21A | −168.0 (6) | O12A—Na2—Na4—O22A | 91.90 (17) |
C12A—Fe1—C25A—C21A | 47.8 (10) | C1A—Na2—Na4—O22A | 69.1 (2) |
C24A—Fe1—C25A—C21A | −119.8 (5) | Na3—Na2—Na4—O22A | −39.54 (12) |
C11A—Fe1—C25A—C21A | 76.8 (4) | Na1—Na2—Na4—O22A | 12.17 (13) |
C12A—C11A—C31A—C36A | −5.2 (10) | Na10i—Na2—Na4—O22A | 130.80 (12) |
C15A—C11A—C31A—C36A | 172.5 (6) | O21E—Na2—Na4—O22Di | 168.51 (17) |
Fe1—C11A—C31A—C36A | −97.5 (8) | O21Ci—Na2—Na4—O22Di | 25.44 (17) |
C12A—C11A—C31A—C32A | 173.1 (6) | O1W—Na2—Na4—O22Di | −36.7 (4) |
C15A—C11A—C31A—C32A | −9.2 (10) | O12B—Na2—Na4—O22Di | 118.5 (2) |
Fe1—C11A—C31A—C32A | 80.8 (8) | O11A—Na2—Na4—O22Di | −104.17 (18) |
C36A—C31A—C32A—C33A | 2.3 (10) | O12A—Na2—Na4—O22Di | −62.42 (18) |
C11A—C31A—C32A—C33A | −176.0 (6) | C1A—Na2—Na4—O22Di | −85.2 (2) |
C31A—C32A—C33A—C34A | 0.1 (10) | Na3—Na2—Na4—O22Di | 166.14 (14) |
C32A—C33A—C34A—C35A | −2.5 (10) | Na1—Na2—Na4—O22Di | −142.15 (14) |
C32A—C33A—C34A—C1A | 173.5 (6) | Na10i—Na2—Na4—O22Di | −23.51 (13) |
O12A—C1A—C34A—C35A | 2.9 (10) | O21E—Na2—Na4—O12B | 50.0 (2) |
O11A—C1A—C34A—C35A | −178.5 (6) | O21Ci—Na2—Na4—O12B | −93.1 (2) |
O12A—C1A—C34A—C33A | −172.9 (7) | O1W—Na2—Na4—O12B | −155.2 (4) |
O11A—C1A—C34A—C33A | 5.7 (10) | O11A—Na2—Na4—O12B | 137.3 (2) |
C33A—C34A—C35A—C36A | 2.3 (10) | O12A—Na2—Na4—O12B | 179.1 (2) |
C1A—C34A—C35A—C36A | −173.7 (6) | C1A—Na2—Na4—O12B | 156.3 (2) |
C32A—C31A—C36A—C35A | −2.5 (10) | Na3—Na2—Na4—O12B | 47.63 (17) |
C11A—C31A—C36A—C35A | 175.8 (6) | Na1—Na2—Na4—O12B | 99.35 (18) |
C34A—C35A—C36A—C31A | 0.2 (10) | Na10i—Na2—Na4—O12B | −142.02 (18) |
C22A—C21A—C41A—C46A | −11.1 (10) | O21E—Na2—Na4—O12Diii | 20.2 (4) |
C25A—C21A—C41A—C46A | 169.9 (6) | O21Ci—Na2—Na4—O12Diii | −122.9 (4) |
Fe1—C21A—C41A—C46A | 79.5 (8) | O1W—Na2—Na4—O12Diii | 174.9 (5) |
C22A—C21A—C41A—C42A | 167.4 (6) | O12B—Na2—Na4—O12Diii | −29.8 (4) |
C25A—C21A—C41A—C42A | −11.6 (10) | O11A—Na2—Na4—O12Diii | 107.5 (4) |
Fe1—C21A—C41A—C42A | −102.0 (7) | O12A—Na2—Na4—O12Diii | 149.2 (4) |
C46A—C41A—C42A—C43A | −0.5 (9) | C1A—Na2—Na4—O12Diii | 126.4 (4) |
C21A—C41A—C42A—C43A | −179.1 (5) | Na3—Na2—Na4—O12Diii | 17.8 (4) |
C41A—C42A—C43A—C44A | 1.3 (9) | Na1—Na2—Na4—O12Diii | 69.5 (4) |
C42A—C43A—C44A—C45A | −1.1 (9) | Na10i—Na2—Na4—O12Diii | −171.9 (4) |
C42A—C43A—C44A—C2A | 176.4 (5) | O21E—Na2—Na4—O11B | 91.71 (17) |
O21A—C2A—C44A—C45A | −164.9 (6) | O21Ci—Na2—Na4—O11B | −51.36 (15) |
O22A—C2A—C44A—C45A | 15.6 (9) | O1W—Na2—Na4—O11B | −113.5 (4) |
Na8ii—C2A—C44A—C45A | 150.4 (5) | O12B—Na2—Na4—O11B | 41.71 (18) |
O21A—C2A—C44A—C43A | 17.6 (9) | O11A—Na2—Na4—O11B | 179.04 (17) |
O22A—C2A—C44A—C43A | −161.9 (6) | O12A—Na2—Na4—O11B | −139.21 (17) |
Na8ii—C2A—C44A—C43A | −27.1 (7) | C1A—Na2—Na4—O11B | −162.0 (2) |
C43A—C44A—C45A—C46A | 0.2 (9) | Na3—Na2—Na4—O11B | 89.34 (12) |
C2A—C44A—C45A—C46A | −177.3 (5) | Na1—Na2—Na4—O11B | 141.06 (13) |
C44A—C45A—C46A—C41A | 0.6 (10) | Na10i—Na2—Na4—O11B | −100.31 (12) |
C42A—C41A—C46A—C45A | −0.4 (9) | O21E—Na2—Na4—C1B | 74.3 (2) |
C21A—C41A—C46A—C45A | 178.1 (5) | O21Ci—Na2—Na4—C1B | −68.7 (2) |
Na6i—O11B—C1B—O12B | −77.4 (7) | O1W—Na2—Na4—C1B | −130.9 (4) |
Na7iii—O11B—C1B—O12B | 82.4 (7) | O12B—Na2—Na4—C1B | 24.3 (2) |
Na4—O11B—C1B—O12B | 3.7 (6) | O11A—Na2—Na4—C1B | 161.7 (2) |
Na6i—O11B—C1B—C34B | 102.1 (5) | O12A—Na2—Na4—C1B | −156.6 (2) |
Na7iii—O11B—C1B—C34B | −98.2 (6) | C1A—Na2—Na4—C1B | −179.4 (2) |
Na4—O11B—C1B—C34B | −176.9 (5) | Na3—Na2—Na4—C1B | 71.96 (17) |
Na6i—O11B—C1B—Na4 | −81.1 (2) | Na1—Na2—Na4—C1B | 123.68 (18) |
Na7iii—O11B—C1B—Na4 | 78.7 (3) | Na10i—Na2—Na4—C1B | −117.69 (18) |
Na3—O12B—C1B—O11B | −121.1 (6) | O21E—Na2—Na4—O12A | −129.07 (19) |
Na2—O12B—C1B—O11B | 100.1 (7) | O21Ci—Na2—Na4—O12A | 87.86 (17) |
Na4—O12B—C1B—O11B | −4.1 (7) | O1W—Na2—Na4—O12A | 25.7 (4) |
Na3—O12B—C1B—C34B | 59.4 (8) | O12B—Na2—Na4—O12A | −179.1 (2) |
Na2—O12B—C1B—C34B | −79.4 (6) | O11A—Na2—Na4—O12A | −41.75 (17) |
Na4—O12B—C1B—C34B | 176.4 (5) | C1A—Na2—Na4—O12A | −22.81 (19) |
Na3—O12B—C1B—Na4 | −117.0 (5) | Na3—Na2—Na4—O12A | −131.44 (15) |
Na2—O12B—C1B—Na4 | 104.2 (4) | Na1—Na2—Na4—O12A | −79.73 (14) |
Na7iii—O21B—C2B—O22B | −101.0 (9) | Na10i—Na2—Na4—O12A | 38.90 (13) |
Na6iii—O21B—C2B—O22B | 96.3 (7) | O21E—Na2—Na4—C2Di | −175.15 (17) |
Na5—O21B—C2B—O22B | 2.0 (7) | O21Ci—Na2—Na4—C2Di | 41.78 (17) |
Na7iii—O21B—C2B—C44B | 79.6 (9) | O1W—Na2—Na4—C2Di | −20.4 (4) |
Na6iii—O21B—C2B—C44B | −83.1 (6) | O12B—Na2—Na4—C2Di | 134.8 (2) |
Na5—O21B—C2B—C44B | −177.4 (5) | O11A—Na2—Na4—C2Di | −87.83 (18) |
Na7iii—O21B—C2B—Na5 | −103.0 (7) | O12A—Na2—Na4—C2Di | −46.08 (17) |
Na6iii—O21B—C2B—Na5 | 94.4 (3) | C1A—Na2—Na4—C2Di | −68.9 (2) |
Na7iii—O21B—C2B—Na7ii | −151.2 (4) | Na3—Na2—Na4—C2Di | −177.52 (14) |
Na6iii—O21B—C2B—Na7ii | 46.2 (5) | Na1—Na2—Na4—C2Di | −125.81 (14) |
Na5—O21B—C2B—Na7ii | −48.2 (3) | Na10i—Na2—Na4—C2Di | −7.17 (13) |
Na7ii—O22B—C2B—O21B | −93.7 (7) | O21E—Na2—Na4—Na6i | 137.60 (14) |
Na3—O22B—C2B—O21B | 99.4 (7) | O21Ci—Na2—Na4—Na6i | −5.46 (12) |
Na5—O22B—C2B—O21B | −2.1 (7) | O1W—Na2—Na4—Na6i | −67.6 (4) |
Na7ii—O22B—C2B—C44B | 85.7 (6) | O12B—Na2—Na4—Na6i | 87.60 (17) |
Na3—O22B—C2B—C44B | −81.2 (6) | O11A—Na2—Na4—Na6i | −135.07 (14) |
Na5—O22B—C2B—C44B | 177.3 (5) | O12A—Na2—Na4—Na6i | −93.32 (14) |
Na7ii—O22B—C2B—Na5 | −91.7 (3) | C1A—Na2—Na4—Na6i | −116.14 (18) |
Na3—O22B—C2B—Na5 | 101.5 (4) | Na3—Na2—Na4—Na6i | 135.23 (8) |
Na3—O22B—C2B—Na7ii | −166.9 (5) | Na1—Na2—Na4—Na6i | −173.05 (8) |
Na5—O22B—C2B—Na7ii | 91.7 (3) | Na10i—Na2—Na4—Na6i | −54.42 (7) |
C23B—Fe2—C11B—C15B | −163.3 (8) | O21E—Na2—Na4—Na5 | −2.05 (16) |
C25B—Fe2—C11B—C15B | 82.4 (4) | O21Ci—Na2—Na4—Na5 | −145.12 (14) |
C12B—Fe2—C11B—C15B | −117.8 (5) | O1W—Na2—Na4—Na5 | 152.7 (4) |
C22B—Fe2—C11B—C15B | 166.3 (4) | O12B—Na2—Na4—Na5 | −52.05 (18) |
C24B—Fe2—C11B—C15B | 49.0 (7) | O11A—Na2—Na4—Na5 | 85.27 (15) |
C13B—Fe2—C11B—C15B | −79.9 (4) | O12A—Na2—Na4—Na5 | 127.03 (16) |
C14B—Fe2—C11B—C15B | −36.0 (4) | C1A—Na2—Na4—Na5 | 104.21 (19) |
C21B—Fe2—C11B—C15B | 125.2 (4) | Na3—Na2—Na4—Na5 | −4.42 (9) |
C23B—Fe2—C11B—C12B | −45.5 (10) | Na1—Na2—Na4—Na5 | 47.30 (11) |
C25B—Fe2—C11B—C12B | −159.8 (4) | Na10i—Na2—Na4—Na5 | 165.93 (9) |
C22B—Fe2—C11B—C12B | −75.9 (4) | O21E—Na2—Na4—Na7iii | 73.96 (17) |
C24B—Fe2—C11B—C12B | 166.8 (6) | O21Ci—Na2—Na4—Na7iii | −69.11 (15) |
C13B—Fe2—C11B—C12B | 37.9 (4) | O1W—Na2—Na4—Na7iii | −131.3 (4) |
C14B—Fe2—C11B—C12B | 81.8 (4) | O12B—Na2—Na4—Na7iii | 23.96 (18) |
C15B—Fe2—C11B—C12B | 117.8 (5) | O11A—Na2—Na4—Na7iii | 161.28 (15) |
C21B—Fe2—C11B—C12B | −117.0 (4) | O12A—Na2—Na4—Na7iii | −156.97 (17) |
C23B—Fe2—C11B—C31B | 74.7 (11) | C1A—Na2—Na4—Na7iii | −179.8 (2) |
C25B—Fe2—C11B—C31B | −39.6 (7) | Na3—Na2—Na4—Na7iii | 71.59 (11) |
C12B—Fe2—C11B—C31B | 120.2 (8) | Na1—Na2—Na4—Na7iii | 123.30 (11) |
C22B—Fe2—C11B—C31B | 44.3 (7) | Na10i—Na2—Na4—Na7iii | −118.06 (11) |
C24B—Fe2—C11B—C31B | −73.0 (9) | C2B—O22B—Na5—O12Diii | 44.5 (4) |
C13B—Fe2—C11B—C31B | 158.1 (7) | Na7ii—O22B—Na5—O12Diii | 158.51 (17) |
C14B—Fe2—C11B—C31B | −158.0 (7) | Na3—O22B—Na5—O12Diii | −79.0 (2) |
C15B—Fe2—C11B—C31B | −122.0 (8) | C2B—O22B—Na5—O11Dii | −154.7 (4) |
C21B—Fe2—C11B—C31B | 3.2 (7) | Na7ii—O22B—Na5—O11Dii | −40.69 (16) |
C15B—C11B—C12B—C13B | −1.0 (7) | Na3—O22B—Na5—O11Dii | 81.84 (17) |
C31B—C11B—C12B—C13B | 177.1 (6) | C2B—O22B—Na5—O22A | 122.6 (4) |
Fe2—C11B—C12B—C13B | −60.1 (4) | Na7ii—O22B—Na5—O22A | −123.40 (16) |
C15B—C11B—C12B—Fe2 | 59.1 (4) | Na3—O22B—Na5—O22A | −0.87 (18) |
C31B—C11B—C12B—Fe2 | −122.8 (6) | C2B—O22B—Na5—O22Diii | −63.3 (4) |
C23B—Fe2—C12B—C13B | −76.4 (5) | Na7ii—O22B—Na5—O22Diii | 50.74 (19) |
C25B—Fe2—C12B—C13B | 165.2 (7) | Na3—O22B—Na5—O22Diii | 173.27 (17) |
C22B—Fe2—C12B—C13B | −117.5 (4) | C2B—O22B—Na5—O21B | 1.1 (4) |
C24B—Fe2—C12B—C13B | −43.3 (11) | Na7ii—O22B—Na5—O21B | 115.1 (2) |
C14B—Fe2—C12B—C13B | 37.6 (4) | Na3—O22B—Na5—O21B | −122.4 (2) |
C15B—Fe2—C12B—C13B | 80.6 (4) | Na7ii—O22B—Na5—C2B | 114.0 (4) |
C21B—Fe2—C12B—C13B | −160.2 (4) | Na3—O22B—Na5—C2B | −123.4 (4) |
C11B—Fe2—C12B—C13B | 119.0 (6) | C2B—O22B—Na5—Na7ii | −114.0 (4) |
C23B—Fe2—C12B—C11B | 164.7 (4) | Na3—O22B—Na5—Na7ii | 122.5 (2) |
C25B—Fe2—C12B—C11B | 46.3 (9) | C2B—O22B—Na5—Na4 | 81.2 (4) |
C22B—Fe2—C12B—C11B | 123.5 (4) | Na7ii—O22B—Na5—Na4 | −164.79 (13) |
C24B—Fe2—C12B—C11B | −162.3 (8) | Na3—O22B—Na5—Na4 | −42.26 (15) |
C13B—Fe2—C12B—C11B | −119.0 (6) | C2B—O22B—Na5—Na3 | 123.4 (4) |
C14B—Fe2—C12B—C11B | −81.4 (4) | Na7ii—O22B—Na5—Na3 | −122.5 (2) |
C15B—Fe2—C12B—C11B | −38.4 (4) | C2B—O22B—Na5—Na7iii | 22.4 (4) |
C21B—Fe2—C12B—C11B | 80.8 (5) | Na7ii—O22B—Na5—Na7iii | 136.41 (12) |
C11B—C12B—C13B—C14B | 1.4 (7) | Na3—O22B—Na5—Na7iii | −101.06 (14) |
Fe2—C12B—C13B—C14B | −59.2 (5) | C2B—O22B—Na5—Na6iii | −34.0 (4) |
C11B—C12B—C13B—Fe2 | 60.6 (4) | Na7ii—O22B—Na5—Na6iii | 80.05 (12) |
C23B—Fe2—C13B—C12B | 123.6 (4) | Na3—O22B—Na5—Na6iii | −157.42 (15) |
C25B—Fe2—C13B—C12B | −160.3 (8) | C2A—O22A—Na5—O12Diii | −152.7 (5) |
C22B—Fe2—C13B—C12B | 80.8 (5) | Na4—O22A—Na5—O12Diii | 28.59 (15) |
C24B—Fe2—C13B—C12B | 165.0 (4) | Na3—O22A—Na5—O12Diii | 123.48 (16) |
C14B—Fe2—C13B—C12B | −119.4 (6) | C2A—O22A—Na5—O11Dii | 1.3 (5) |
C15B—Fe2—C13B—C12B | −81.9 (4) | Na4—O22A—Na5—O11Dii | −177.37 (16) |
C21B—Fe2—C13B—C12B | 45.8 (8) | Na3—O22A—Na5—O11Dii | −82.49 (15) |
C11B—Fe2—C13B—C12B | −38.0 (4) | C2A—O22A—Na5—O22B | 84.5 (5) |
C23B—Fe2—C13B—C14B | −117.0 (4) | Na4—O22A—Na5—O22B | −94.12 (17) |
C25B—Fe2—C13B—C14B | −40.9 (11) | Na3—O22A—Na5—O22B | 0.76 (16) |
C12B—Fe2—C13B—C14B | 119.4 (6) | C2A—O22A—Na5—O22Diii | −80.8 (7) |
C22B—Fe2—C13B—C14B | −159.7 (4) | Na4—O22A—Na5—O22Diii | 100.5 (5) |
C24B—Fe2—C13B—C14B | −75.6 (5) | Na3—O22A—Na5—O22Diii | −164.6 (4) |
C15B—Fe2—C13B—C14B | 37.5 (4) | C2A—O22A—Na5—O21B | 132.7 (5) |
C21B—Fe2—C13B—C14B | 165.2 (6) | Na4—O22A—Na5—O21B | −46.0 (2) |
C11B—Fe2—C13B—C14B | 81.4 (4) | Na3—O22A—Na5—O21B | 48.9 (2) |
C12B—C13B—C14B—C15B | −1.3 (7) | C2A—O22A—Na5—C2B | 107.4 (5) |
Fe2—C13B—C14B—C15B | −60.0 (4) | Na4—O22A—Na5—C2B | −71.2 (2) |
C12B—C13B—C14B—Fe2 | 58.8 (4) | Na3—O22A—Na5—C2B | 23.7 (2) |
C23B—Fe2—C14B—C15B | −159.7 (4) | C2A—O22A—Na5—Na7ii | 45.7 (5) |
C25B—Fe2—C14B—C15B | −75.8 (5) | Na4—O22A—Na5—Na7ii | −132.93 (13) |
C12B—Fe2—C14B—C15B | 80.8 (4) | Na3—O22A—Na5—Na7ii | −38.04 (16) |
C22B—Fe2—C14B—C15B | 166.0 (6) | C2A—O22A—Na5—Na4 | 178.7 (5) |
C24B—Fe2—C14B—C15B | −117.8 (4) | Na3—O22A—Na5—Na4 | 94.89 (15) |
C13B—Fe2—C14B—C15B | 118.6 (6) | C2A—O22A—Na5—Na3 | 83.8 (5) |
C21B—Fe2—C14B—C15B | −42.2 (9) | Na4—O22A—Na5—Na3 | −94.89 (15) |
C11B—Fe2—C14B—C15B | 36.7 (4) | C2A—O22A—Na5—Na7iii | 170.1 (4) |
C23B—Fe2—C14B—C13B | 81.7 (5) | Na4—O22A—Na5—Na7iii | −8.55 (14) |
C25B—Fe2—C14B—C13B | 165.7 (4) | Na3—O22A—Na5—Na7iii | 86.33 (12) |
C12B—Fe2—C14B—C13B | −37.7 (4) | C2A—O22A—Na5—Na6iii | 150.0 (4) |
C22B—Fe2—C14B—C13B | 47.4 (8) | Na4—O22A—Na5—Na6iii | −28.7 (4) |
C24B—Fe2—C14B—C13B | 123.6 (4) | Na3—O22A—Na5—Na6iii | 66.2 (4) |
C15B—Fe2—C14B—C13B | −118.6 (6) | C2B—O21B—Na5—O12Diii | −144.9 (4) |
C21B—Fe2—C14B—C13B | −160.7 (7) | Na7iii—O21B—Na5—O12Diii | 0.42 (17) |
C11B—Fe2—C14B—C13B | −81.9 (4) | Na6iii—O21B—Na5—O12Diii | 94.35 (17) |
C13B—C14B—C15B—C11B | 0.6 (8) | C2B—O21B—Na5—O11Dii | 31.3 (5) |
Fe2—C14B—C15B—C11B | −59.0 (5) | Na7iii—O21B—Na5—O11Dii | 176.62 (18) |
C13B—C14B—C15B—Fe2 | 59.6 (5) | Na6iii—O21B—Na5—O11Dii | −89.5 (2) |
C12B—C11B—C15B—C14B | 0.2 (7) | C2B—O21B—Na5—O22B | −1.1 (4) |
C31B—C11B—C15B—C14B | −177.9 (6) | Na7iii—O21B—Na5—O22B | 144.2 (2) |
Fe2—C11B—C15B—C14B | 58.8 (5) | Na6iii—O21B—Na5—O22B | −121.9 (2) |
C12B—C11B—C15B—Fe2 | −58.6 (4) | C2B—O21B—Na5—O22A | −70.3 (4) |
C31B—C11B—C15B—Fe2 | 123.3 (6) | Na7iii—O21B—Na5—O22A | 75.0 (2) |
C23B—Fe2—C15B—C14B | 46.4 (8) | Na6iii—O21B—Na5—O22A | 168.90 (17) |
C25B—Fe2—C15B—C14B | 123.0 (4) | C2B—O21B—Na5—O22Diii | 121.6 (4) |
C12B—Fe2—C15B—C14B | −82.6 (4) | Na7iii—O21B—Na5—O22Diii | −93.07 (17) |
C22B—Fe2—C15B—C14B | −161.1 (8) | Na6iii—O21B—Na5—O22Diii | 0.86 (16) |
C24B—Fe2—C15B—C14B | 80.0 (5) | Na7iii—O21B—Na5—C2B | 145.3 (4) |
C13B—Fe2—C15B—C14B | −38.3 (4) | Na6iii—O21B—Na5—C2B | −120.8 (4) |
C21B—Fe2—C15B—C14B | 165.0 (4) | C2B—O21B—Na5—Na7ii | 38.9 (4) |
C11B—Fe2—C15B—C14B | −121.3 (6) | Na7iii—O21B—Na5—Na7ii | −175.80 (14) |
C23B—Fe2—C15B—C11B | 167.7 (6) | Na6iii—O21B—Na5—Na7ii | −81.87 (13) |
C25B—Fe2—C15B—C11B | −115.7 (4) | C2B—O21B—Na5—Na4 | −99.0 (4) |
C12B—Fe2—C15B—C11B | 38.7 (3) | Na7iii—O21B—Na5—Na4 | 46.32 (14) |
C22B—Fe2—C15B—C11B | −39.8 (10) | Na6iii—O21B—Na5—Na4 | 140.25 (14) |
C24B—Fe2—C15B—C11B | −158.7 (4) | C2B—O21B—Na5—Na3 | −35.3 (4) |
C13B—Fe2—C15B—C11B | 83.0 (4) | Na7iii—O21B—Na5—Na3 | 109.93 (14) |
C14B—Fe2—C15B—C11B | 121.3 (6) | Na6iii—O21B—Na5—Na3 | −156.13 (15) |
C21B—Fe2—C15B—C11B | −73.7 (4) | C2B—O21B—Na5—Na7iii | −145.3 (4) |
C23B—Fe2—C21B—C22B | −37.7 (4) | Na6iii—O21B—Na5—Na7iii | 93.93 (18) |
C25B—Fe2—C21B—C22B | −119.2 (5) | C2B—O21B—Na5—Na6iii | 120.8 (4) |
C12B—Fe2—C21B—C22B | 81.7 (4) | Na7iii—O21B—Na5—Na6iii | −93.93 (18) |
C24B—Fe2—C21B—C22B | −81.1 (4) | O21B—C2B—Na5—O12Diii | 35.4 (4) |
C13B—Fe2—C21B—C22B | 48.8 (8) | O22B—C2B—Na5—O12Diii | −142.7 (4) |
C14B—Fe2—C21B—C22B | −163.1 (7) | Na7ii—C2B—Na5—O12Diii | 169.51 (15) |
C15B—Fe2—C21B—C22B | 165.1 (4) | O21B—C2B—Na5—O11Dii | −155.5 (4) |
C11B—Fe2—C21B—C22B | 124.3 (4) | O22B—C2B—Na5—O11Dii | 26.4 (4) |
C23B—Fe2—C21B—C25B | 81.4 (4) | Na7ii—C2B—Na5—O11Dii | −21.44 (18) |
C12B—Fe2—C21B—C25B | −159.1 (4) | O21B—C2B—Na5—O22B | 178.1 (7) |
C22B—Fe2—C21B—C25B | 119.2 (5) | Na7ii—C2B—Na5—O22B | −47.8 (3) |
C24B—Fe2—C21B—C25B | 38.1 (4) | O21B—C2B—Na5—O22A | 118.0 (4) |
C13B—Fe2—C21B—C25B | 167.9 (6) | O22B—C2B—Na5—O22A | −60.1 (4) |
C14B—Fe2—C21B—C25B | −43.9 (9) | Na7ii—C2B—Na5—O22A | −107.89 (16) |
C15B—Fe2—C21B—C25B | −75.8 (5) | O21B—C2B—Na5—O22Diii | −58.9 (4) |
C11B—Fe2—C21B—C25B | −116.5 (4) | O22B—C2B—Na5—O22Diii | 123.0 (4) |
C23B—Fe2—C21B—C41B | −158.3 (7) | Na7ii—C2B—Na5—O22Diii | 75.21 (16) |
C25B—Fe2—C21B—C41B | 120.3 (8) | O22B—C2B—Na5—O21B | −178.1 (7) |
C12B—Fe2—C21B—C41B | −38.8 (7) | Na7ii—C2B—Na5—O21B | 134.1 (4) |
C22B—Fe2—C21B—C41B | −120.5 (7) | O21B—C2B—Na5—Na7ii | −134.1 (4) |
C24B—Fe2—C21B—C41B | 158.4 (7) | O22B—C2B—Na5—Na7ii | 47.8 (3) |
C13B—Fe2—C21B—C41B | −71.8 (9) | O21B—C2B—Na5—Na4 | 79.1 (4) |
C14B—Fe2—C21B—C41B | 76.4 (10) | O22B—C2B—Na5—Na4 | −98.9 (4) |
C15B—Fe2—C21B—C41B | 44.5 (7) | Na7ii—C2B—Na5—Na4 | −146.75 (12) |
C11B—Fe2—C21B—C41B | 3.8 (7) | O21B—C2B—Na5—Na3 | 138.5 (4) |
C25B—C21B—C22B—C23B | 1.4 (7) | O22B—C2B—Na5—Na3 | −39.6 (3) |
C41B—C21B—C22B—C23B | 179.7 (6) | Na7ii—C2B—Na5—Na3 | −87.42 (15) |
Fe2—C21B—C22B—C23B | 59.3 (4) | O21B—C2B—Na5—Na7iii | 23.7 (3) |
C25B—C21B—C22B—Fe2 | −57.9 (4) | O22B—C2B—Na5—Na7iii | −154.4 (4) |
C41B—C21B—C22B—Fe2 | 120.4 (6) | Na7ii—C2B—Na5—Na7iii | 157.83 (16) |
C25B—Fe2—C22B—C23B | −81.0 (4) | O21B—C2B—Na5—Na6iii | −42.0 (3) |
C12B—Fe2—C22B—C23B | 124.6 (4) | O22B—C2B—Na5—Na6iii | 139.9 (4) |
C24B—Fe2—C22B—C23B | −36.8 (4) | Na7ii—C2B—Na5—Na6iii | 92.06 (14) |
C13B—Fe2—C22B—C23B | 81.9 (4) | O22A—Na4—Na5—O12Diii | −138.6 (2) |
C14B—Fe2—C22B—C23B | 47.9 (8) | O22Di—Na4—Na5—O12Diii | 0.3 (2) |
C15B—Fe2—C22B—C23B | −163.1 (8) | O12B—Na4—Na5—O12Diii | 137.22 (19) |
C21B—Fe2—C22B—C23B | −119.0 (5) | O11B—Na4—Na5—O12Diii | 85.88 (18) |
C11B—Fe2—C22B—C23B | 166.4 (4) | C1B—Na4—Na5—O12Diii | 111.5 (2) |
C23B—Fe2—C22B—C21B | 119.0 (5) | O12A—Na4—Na5—O12Diii | −132.4 (2) |
C25B—Fe2—C22B—C21B | 38.0 (3) | C2Di—Na4—Na5—O12Diii | −23.6 (3) |
C12B—Fe2—C22B—C21B | −116.4 (4) | Na6i—Na4—Na5—O12Diii | 69.07 (19) |
C24B—Fe2—C22B—C21B | 82.3 (4) | Na7iii—Na4—Na5—O12Diii | 51.19 (14) |
C13B—Fe2—C22B—C21B | −159.0 (3) | Na2—Na4—Na5—O12Diii | 168.63 (17) |
C14B—Fe2—C22B—C21B | 166.9 (6) | O22A—Na4—Na5—O11Dii | 3.15 (19) |
C15B—Fe2—C22B—C21B | −44.0 (10) | O22Di—Na4—Na5—O11Dii | 142.1 (2) |
C11B—Fe2—C22B—C21B | −74.6 (4) | O12B—Na4—Na5—O11Dii | −81.00 (18) |
C21B—C22B—C23B—C24B | −0.6 (8) | O12Diii—Na4—Na5—O11Dii | 141.8 (2) |
Fe2—C22B—C23B—C24B | 59.5 (5) | O11B—Na4—Na5—O11Dii | −132.33 (17) |
C21B—C22B—C23B—Fe2 | −60.1 (5) | C1B—Na4—Na5—O11Dii | −106.7 (2) |
C25B—Fe2—C23B—C24B | −38.2 (4) | O12A—Na4—Na5—O11Dii | 9.3 (2) |
C12B—Fe2—C23B—C24B | 164.9 (4) | C2Di—Na4—Na5—O11Dii | 118.2 (3) |
C22B—Fe2—C23B—C24B | −120.5 (6) | Na6i—Na4—Na5—O11Dii | −149.15 (16) |
C13B—Fe2—C23B—C24B | 122.8 (4) | Na7iii—Na4—Na5—O11Dii | −167.03 (16) |
C14B—Fe2—C23B—C24B | 80.0 (5) | Na2—Na4—Na5—O11Dii | −49.59 (17) |
C15B—Fe2—C23B—C24B | 47.1 (8) | O22A—Na4—Na5—O22B | 86.57 (18) |
C21B—Fe2—C23B—C24B | −82.5 (4) | O22Di—Na4—Na5—O22B | −134.47 (19) |
C11B—Fe2—C23B—C24B | −160.1 (7) | O12B—Na4—Na5—O22B | 2.42 (16) |
C25B—Fe2—C23B—C22B | 82.3 (4) | O12Diii—Na4—Na5—O22B | −134.79 (19) |
C12B—Fe2—C23B—C22B | −74.7 (5) | O11B—Na4—Na5—O22B | −48.91 (16) |
C24B—Fe2—C23B—C22B | 120.5 (6) | C1B—Na4—Na5—O22B | −23.25 (19) |
C13B—Fe2—C23B—C22B | −116.7 (4) | O12A—Na4—Na5—O22B | 92.76 (19) |
C14B—Fe2—C23B—C22B | −159.5 (4) | C2Di—Na4—Na5—O22B | −158.4 (3) |
C15B—Fe2—C23B—C22B | 167.6 (6) | Na6i—Na4—Na5—O22B | −65.72 (18) |
C21B—Fe2—C23B—C22B | 37.9 (4) | Na7iii—Na4—Na5—O22B | −83.61 (12) |
C11B—Fe2—C23B—C22B | −39.6 (10) | Na2—Na4—Na5—O22B | 33.84 (14) |
C22B—C23B—C24B—C25B | −0.5 (8) | O22Di—Na4—Na5—O22A | 139.0 (2) |
Fe2—C23B—C24B—C25B | 58.9 (5) | O12B—Na4—Na5—O22A | −84.15 (19) |
C22B—C23B—C24B—Fe2 | −59.4 (5) | O12Diii—Na4—Na5—O22A | 138.6 (2) |
C25B—Fe2—C24B—C23B | 119.1 (6) | O11B—Na4—Na5—O22A | −135.48 (19) |
C12B—Fe2—C24B—C23B | −43.4 (11) | C1B—Na4—Na5—O22A | −109.8 (2) |
C22B—Fe2—C24B—C23B | 37.0 (4) | O12A—Na4—Na5—O22A | 6.2 (2) |
C13B—Fe2—C24B—C23B | −76.6 (5) | C2Di—Na4—Na5—O22A | 115.1 (3) |
C14B—Fe2—C24B—C23B | −118.1 (4) | Na6i—Na4—Na5—O22A | −152.3 (2) |
C15B—Fe2—C24B—C23B | −159.5 (4) | Na7iii—Na4—Na5—O22A | −170.18 (16) |
C21B—Fe2—C24B—C23B | 81.0 (4) | Na2—Na4—Na5—O22A | −52.74 (16) |
C11B—Fe2—C24B—C23B | 165.6 (5) | O22A—Na4—Na5—O22Diii | −146.8 (2) |
C23B—Fe2—C24B—C25B | −119.1 (6) | O22Di—Na4—Na5—O22Diii | −7.9 (2) |
C12B—Fe2—C24B—C25B | −162.5 (8) | O12B—Na4—Na5—O22Diii | 129.0 (2) |
C22B—Fe2—C24B—C25B | −82.0 (4) | O12Diii—Na4—Na5—O22Diii | −8.2 (2) |
C13B—Fe2—C24B—C25B | 164.3 (4) | O11B—Na4—Na5—O22Diii | 77.7 (2) |
C14B—Fe2—C24B—C25B | 122.9 (4) | C1B—Na4—Na5—O22Diii | 103.4 (2) |
C15B—Fe2—C24B—C25B | 81.4 (5) | O12A—Na4—Na5—O22Diii | −140.6 (2) |
C21B—Fe2—C24B—C25B | −38.1 (4) | C2Di—Na4—Na5—O22Diii | −31.7 (3) |
C11B—Fe2—C24B—C25B | 46.5 (8) | Na6i—Na4—Na5—O22Diii | 60.9 (2) |
C23B—C24B—C25B—C21B | 1.4 (8) | Na7iii—Na4—Na5—O22Diii | 43.01 (18) |
Fe2—C24B—C25B—C21B | 60.4 (4) | Na2—Na4—Na5—O22Diii | 160.45 (16) |
C23B—C24B—C25B—Fe2 | −59.0 (5) | O22A—Na4—Na5—O21B | 138.70 (19) |
C22B—C21B—C25B—C24B | −1.7 (7) | O22Di—Na4—Na5—O21B | −82.3 (2) |
C41B—C21B—C25B—C24B | 180.0 (6) | O12B—Na4—Na5—O21B | 54.55 (15) |
Fe2—C21B—C25B—C24B | −59.8 (4) | O12Diii—Na4—Na5—O21B | −82.66 (18) |
C22B—C21B—C25B—Fe2 | 58.1 (4) | O11B—Na4—Na5—O21B | 3.22 (15) |
C41B—C21B—C25B—Fe2 | −120.2 (6) | C1B—Na4—Na5—O21B | 28.88 (19) |
C23B—Fe2—C25B—C24B | 37.4 (4) | O12A—Na4—Na5—O21B | 144.89 (18) |
C12B—Fe2—C25B—C24B | 167.0 (7) | C2Di—Na4—Na5—O21B | −106.2 (3) |
C22B—Fe2—C25B—C24B | 81.2 (4) | Na6i—Na4—Na5—O21B | −13.59 (19) |
C13B—Fe2—C25B—C24B | −45.3 (11) | Na7iii—Na4—Na5—O21B | −31.47 (11) |
C14B—Fe2—C25B—C24B | −76.5 (5) | Na2—Na4—Na5—O21B | 85.97 (13) |
C15B—Fe2—C25B—C24B | −117.2 (4) | O22A—Na4—Na5—C2B | 112.9 (2) |
C21B—Fe2—C25B—C24B | 118.9 (6) | O22Di—Na4—Na5—C2B | −108.1 (2) |
C11B—Fe2—C25B—C24B | −159.8 (4) | O12B—Na4—Na5—C2B | 28.8 (2) |
C23B—Fe2—C25B—C21B | −81.5 (4) | O12Diii—Na4—Na5—C2B | −108.4 (2) |
C12B—Fe2—C25B—C21B | 48.1 (9) | O11B—Na4—Na5—C2B | −22.6 (2) |
C22B—Fe2—C25B—C21B | −37.7 (4) | C1B—Na4—Na5—C2B | 3.1 (2) |
C24B—Fe2—C25B—C21B | −118.9 (6) | O12A—Na4—Na5—C2B | 119.1 (2) |
C13B—Fe2—C25B—C21B | −164.2 (8) | C2Di—Na4—Na5—C2B | −132.0 (3) |
C14B—Fe2—C25B—C21B | 164.6 (4) | Na6i—Na4—Na5—C2B | −39.4 (2) |
C15B—Fe2—C25B—C21B | 123.9 (4) | Na7iii—Na4—Na5—C2B | −57.26 (17) |
C11B—Fe2—C25B—C21B | 81.3 (5) | Na2—Na4—Na5—C2B | 60.18 (18) |
C15B—C11B—C31B—C32B | 10.1 (10) | O22A—Na4—Na5—Na7ii | 71.77 (18) |
C12B—C11B—C31B—C32B | −167.6 (6) | O22Di—Na4—Na5—Na7ii | −149.28 (17) |
Fe2—C11B—C31B—C32B | 102.2 (8) | O12B—Na4—Na5—Na7ii | −12.38 (17) |
C15B—C11B—C31B—C36B | −169.9 (6) | O12Diii—Na4—Na5—Na7ii | −149.60 (19) |
C12B—C11B—C31B—C36B | 12.3 (10) | O11B—Na4—Na5—Na7ii | −63.71 (17) |
Fe2—C11B—C31B—C36B | −77.8 (7) | C1B—Na4—Na5—Na7ii | −38.1 (2) |
C36B—C31B—C32B—C33B | 2.3 (9) | O12A—Na4—Na5—Na7ii | 78.0 (2) |
C11B—C31B—C32B—C33B | −177.7 (5) | C2Di—Na4—Na5—Na7ii | −173.2 (2) |
C31B—C32B—C33B—C34B | −1.8 (9) | Na6i—Na4—Na5—Na7ii | −80.52 (19) |
C32B—C33B—C34B—C35B | −0.3 (9) | Na7iii—Na4—Na5—Na7ii | −98.41 (13) |
C32B—C33B—C34B—C1B | 179.2 (5) | Na2—Na4—Na5—Na7ii | 19.03 (16) |
O11B—C1B—C34B—C33B | −14.3 (9) | O22A—Na4—Na5—Na3 | 56.88 (15) |
O12B—C1B—C34B—C33B | 165.2 (6) | O22Di—Na4—Na5—Na3 | −164.17 (18) |
O11B—C1B—C34B—C35B | 165.3 (6) | O12B—Na4—Na5—Na3 | −27.27 (11) |
O12B—C1B—C34B—C35B | −15.2 (9) | O12Diii—Na4—Na5—Na3 | −164.49 (16) |
C33B—C34B—C35B—C36B | 1.8 (9) | O11B—Na4—Na5—Na3 | −78.60 (12) |
C1B—C34B—C35B—C36B | −177.8 (5) | C1B—Na4—Na5—Na3 | −52.94 (16) |
C34B—C35B—C36B—C31B | −1.2 (9) | O12A—Na4—Na5—Na3 | 63.07 (16) |
C32B—C31B—C36B—C35B | −0.8 (9) | C2Di—Na4—Na5—Na3 | 171.9 (3) |
C11B—C31B—C36B—C35B | 179.2 (5) | Na6i—Na4—Na5—Na3 | −95.41 (14) |
C22B—C21B—C41B—C46B | 13.5 (10) | Na7iii—Na4—Na5—Na3 | −113.30 (7) |
C25B—C21B—C41B—C46B | −168.6 (6) | Na2—Na4—Na5—Na3 | 4.14 (8) |
Fe2—C21B—C41B—C46B | 102.7 (7) | O22A—Na4—Na5—Na7iii | 170.18 (16) |
C22B—C21B—C41B—C42B | −166.2 (6) | O22Di—Na4—Na5—Na7iii | −50.87 (17) |
C25B—C21B—C41B—C42B | 11.8 (10) | O12B—Na4—Na5—Na7iii | 86.03 (12) |
Fe2—C21B—C41B—C42B | −76.9 (8) | O12Diii—Na4—Na5—Na7iii | −51.19 (14) |
C46B—C41B—C42B—C43B | 0.4 (10) | O11B—Na4—Na5—Na7iii | 34.70 (11) |
C21B—C41B—C42B—C43B | −179.9 (5) | C1B—Na4—Na5—Na7iii | 60.35 (16) |
C41B—C42B—C43B—C44B | −0.4 (9) | O12A—Na4—Na5—Na7iii | 176.36 (17) |
C42B—C43B—C44B—C45B | −0.7 (9) | C2Di—Na4—Na5—Na7iii | −74.8 (3) |
C42B—C43B—C44B—C2B | −179.1 (5) | Na6i—Na4—Na5—Na7iii | 17.88 (13) |
O21B—C2B—C44B—C45B | 163.8 (6) | Na2—Na4—Na5—Na7iii | 117.44 (9) |
O22B—C2B—C44B—C45B | −15.6 (9) | O22A—Na4—Na5—Na6iii | 166.78 (17) |
Na7ii—C2B—C44B—C45B | 30.6 (6) | O22Di—Na4—Na5—Na6iii | −54.27 (19) |
O21B—C2B—C44B—C43B | −17.7 (9) | O12B—Na4—Na5—Na6iii | 82.63 (14) |
O22B—C2B—C44B—C43B | 162.8 (6) | O12Diii—Na4—Na5—Na6iii | −54.59 (15) |
Na7ii—C2B—C44B—C43B | −150.9 (5) | O11B—Na4—Na5—Na6iii | 31.30 (14) |
C43B—C44B—C45B—C46B | 1.7 (9) | C1B—Na4—Na5—Na6iii | 56.95 (17) |
C2B—C44B—C45B—C46B | −179.8 (5) | O12A—Na4—Na5—Na6iii | 172.96 (15) |
C44B—C45B—C46B—C41B | −1.7 (9) | C2Di—Na4—Na5—Na6iii | −78.2 (3) |
C42B—C41B—C46B—C45B | 0.6 (9) | Na6i—Na4—Na5—Na6iii | 14.48 (18) |
C21B—C41B—C46B—C45B | −179.0 (5) | Na7iii—Na4—Na5—Na6iii | −3.40 (8) |
Na6—O11C—C1C—O12C | 115.1 (7) | Na2—Na4—Na5—Na6iii | 114.04 (10) |
Na7—O11C—C1C—O12C | −81.6 (8) | O12B—Na3—Na5—O12Diii | 17.19 (16) |
Na8—O11C—C1C—O12C | 10.5 (7) | O12Cii—Na3—Na5—O12Diii | −177.01 (17) |
Na6—O11C—C1C—C34C | −65.0 (8) | O21A—Na3—Na5—O12Diii | −101.80 (17) |
Na7—O11C—C1C—C34C | 98.3 (6) | O22B—Na3—Na5—O12Diii | 119.5 (2) |
Na8—O11C—C1C—C34C | −169.6 (5) | O21E—Na3—Na5—O12Diii | −29.1 (4) |
Na6—O11C—C1C—Na8 | 104.6 (5) | O22A—Na3—Na5—O12Diii | −59.32 (19) |
Na7—O11C—C1C—Na8 | −92.1 (4) | C2A—Na3—Na5—O12Diii | −84.6 (2) |
Na3i—O12C—C1C—O11C | 74.0 (7) | Na8ii—Na3—Na5—O12Diii | −147.56 (13) |
Na9—O12C—C1C—O11C | −95.6 (7) | Na2—Na3—Na5—O12Diii | −15.87 (15) |
Na8—O12C—C1C—O11C | −10.3 (7) | Na1—Na3—Na5—O12Diii | −86.35 (15) |
Na3i—O12C—C1C—C34C | −105.9 (5) | Na4—Na3—Na5—O12Diii | −11.52 (12) |
Na9—O12C—C1C—C34C | 84.5 (6) | O12B—Na3—Na5—O11Dii | 165.97 (16) |
Na8—O12C—C1C—C34C | 169.8 (5) | O12Cii—Na3—Na5—O11Dii | −28.23 (17) |
Na3i—O12C—C1C—Na8 | 84.3 (3) | O21A—Na3—Na5—O11Dii | 46.98 (16) |
Na9—O12C—C1C—Na8 | −85.3 (3) | O22B—Na3—Na5—O11Dii | −91.7 (2) |
Na9—O22C—C2C—O21C | 129.0 (12) | O21E—Na3—Na5—O11Dii | 119.7 (4) |
Na10—O22C—C2C—O21C | −17.4 (7) | O22A—Na3—Na5—O11Dii | 89.46 (18) |
Na9—O22C—C2C—C44C | −50.5 (17) | C2A—Na3—Na5—O11Dii | 64.21 (19) |
Na10—O22C—C2C—C44C | 163.1 (5) | Na8ii—Na3—Na5—O11Dii | 1.22 (11) |
Na9—O22C—C2C—Na10 | 146.4 (15) | Na2—Na3—Na5—O11Dii | 132.91 (13) |
Na2ii—O21C—C2C—O22C | 104.5 (7) | Na1—Na3—Na5—O11Dii | 62.43 (15) |
Na6—O21C—C2C—O22C | −71.1 (7) | Na4—Na3—Na5—O11Dii | 137.26 (13) |
Na10—O21C—C2C—O22C | 15.9 (6) | O12B—Na3—Na5—O22B | −102.3 (2) |
Na2ii—O21C—C2C—C44C | −75.9 (6) | O12Cii—Na3—Na5—O22B | 63.5 (2) |
Na6—O21C—C2C—C44C | 108.4 (5) | O21A—Na3—Na5—O22B | 138.7 (2) |
Na10—O21C—C2C—C44C | −164.5 (5) | O21E—Na3—Na5—O22B | −148.6 (4) |
Na2ii—O21C—C2C—Na10 | 88.6 (3) | O22A—Na3—Na5—O22B | −178.8 (2) |
Na6—O21C—C2C—Na10 | −87.0 (3) | C2A—Na3—Na5—O22B | 155.9 (3) |
C23C—Fe3—C11C—C12C | −47.0 (7) | Na8ii—Na3—Na5—O22B | 92.92 (18) |
C15C—Fe3—C11C—C12C | 119.1 (5) | Na2—Na3—Na5—O22B | −135.39 (19) |
C22C—Fe3—C11C—C12C | −81.2 (4) | Na1—Na3—Na5—O22B | 154.1 (2) |
C13C—Fe3—C11C—C12C | 37.0 (4) | Na4—Na3—Na5—O22B | −131.04 (18) |
C24C—Fe3—C11C—C12C | 161.3 (8) | O12B—Na3—Na5—O22A | 76.51 (18) |
C14C—Fe3—C11C—C12C | 80.9 (4) | O12Cii—Na3—Na5—O22A | −117.7 (2) |
C25C—Fe3—C11C—C12C | −165.8 (4) | O21A—Na3—Na5—O22A | −42.48 (18) |
C21C—Fe3—C11C—C12C | −124.4 (4) | O22B—Na3—Na5—O22A | 178.8 (2) |
C23C—Fe3—C11C—C15C | −166.1 (5) | O21E—Na3—Na5—O22A | 30.3 (4) |
C22C—Fe3—C11C—C15C | 159.7 (4) | C2A—Na3—Na5—O22A | −25.3 (2) |
C13C—Fe3—C11C—C15C | −82.1 (4) | Na8ii—Na3—Na5—O22A | −88.25 (16) |
C24C—Fe3—C11C—C15C | 42.2 (10) | Na2—Na3—Na5—O22A | 43.44 (16) |
C14C—Fe3—C11C—C15C | −38.2 (4) | Na1—Na3—Na5—O22A | −27.04 (17) |
C25C—Fe3—C11C—C15C | 75.1 (5) | Na4—Na3—Na5—O22A | 47.79 (15) |
C12C—Fe3—C11C—C15C | −119.1 (5) | O12B—Na3—Na5—O22Diii | −115.8 (3) |
C21C—Fe3—C11C—C15C | 116.5 (4) | O12Cii—Na3—Na5—O22Diii | 50.0 (3) |
C23C—Fe3—C11C—C31C | 75.4 (9) | O21A—Na3—Na5—O22Diii | 125.2 (3) |
C15C—Fe3—C11C—C31C | −118.5 (8) | O22B—Na3—Na5—O22Diii | −13.5 (3) |
C22C—Fe3—C11C—C31C | 41.2 (8) | O21E—Na3—Na5—O22Diii | −162.1 (4) |
C13C—Fe3—C11C—C31C | 159.4 (8) | O22A—Na3—Na5—O22Diii | 167.6 (3) |
C24C—Fe3—C11C—C31C | −76.3 (11) | C2A—Na3—Na5—O22Diii | 142.4 (3) |
C14C—Fe3—C11C—C31C | −156.7 (8) | Na8ii—Na3—Na5—O22Diii | 79.4 (3) |
C25C—Fe3—C11C—C31C | −43.4 (8) | Na2—Na3—Na5—O22Diii | −148.9 (3) |
C12C—Fe3—C11C—C31C | 122.4 (8) | Na1—Na3—Na5—O22Diii | 140.6 (3) |
C21C—Fe3—C11C—C31C | −2.0 (7) | Na4—Na3—Na5—O22Diii | −144.6 (3) |
C15C—C11C—C12C—C13C | −2.2 (8) | O12B—Na3—Na5—O21B | −59.23 (15) |
C31C—C11C—C12C—C13C | 175.8 (6) | O12Cii—Na3—Na5—O21B | 106.57 (17) |
Fe3—C11C—C12C—C13C | −59.3 (5) | O21A—Na3—Na5—O21B | −178.22 (17) |
C15C—C11C—C12C—Fe3 | 57.2 (4) | O22B—Na3—Na5—O21B | 43.10 (19) |
C31C—C11C—C12C—Fe3 | −124.9 (6) | O21E—Na3—Na5—O21B | −105.5 (4) |
C23C—Fe3—C12C—C13C | −81.5 (5) | O22A—Na3—Na5—O21B | −135.7 (2) |
C15C—Fe3—C12C—C13C | 81.6 (4) | C2A—Na3—Na5—O21B | −161.0 (2) |
C22C—Fe3—C12C—C13C | −124.4 (4) | Na8ii—Na3—Na5—O21B | 136.01 (13) |
C24C—Fe3—C12C—C13C | −48.4 (8) | Na2—Na3—Na5—O21B | −92.30 (13) |
C14C—Fe3—C12C—C13C | 37.4 (4) | Na1—Na3—Na5—O21B | −162.78 (14) |
C25C—Fe3—C12C—C13C | 164.7 (9) | Na4—Na3—Na5—O21B | −87.95 (13) |
C21C—Fe3—C12C—C13C | −165.2 (4) | O12B—Na3—Na5—C2B | −76.5 (2) |
C11C—Fe3—C12C—C13C | 119.7 (6) | O12Cii—Na3—Na5—C2B | 89.3 (2) |
C23C—Fe3—C12C—C11C | 158.8 (4) | O21A—Na3—Na5—C2B | 164.5 (2) |
C15C—Fe3—C12C—C11C | −38.1 (3) | O22B—Na3—Na5—C2B | 25.9 (2) |
C22C—Fe3—C12C—C11C | 115.9 (4) | O21E—Na3—Na5—C2B | −122.7 (4) |
C13C—Fe3—C12C—C11C | −119.7 (6) | O22A—Na3—Na5—C2B | −153.0 (3) |
C24C—Fe3—C12C—C11C | −168.0 (6) | C2A—Na3—Na5—C2B | −178.2 (3) |
C14C—Fe3—C12C—C11C | −82.3 (4) | Na8ii—Na3—Na5—C2B | 118.77 (19) |
C25C—Fe3—C12C—C11C | 45.1 (11) | Na2—Na3—Na5—C2B | −109.5 (2) |
C21C—Fe3—C12C—C11C | 75.2 (5) | Na1—Na3—Na5—C2B | 180.0 (2) |
C11C—C12C—C13C—C14C | 0.6 (8) | Na4—Na3—Na5—C2B | −105.19 (19) |
Fe3—C12C—C13C—C14C | −59.4 (5) | O12B—Na3—Na5—Na7ii | −140.21 (12) |
C11C—C12C—C13C—Fe3 | 60.0 (5) | O12Cii—Na3—Na5—Na7ii | 25.59 (14) |
C23C—Fe3—C13C—C12C | 115.9 (4) | O21A—Na3—Na5—Na7ii | 100.81 (13) |
C15C—Fe3—C13C—C12C | −82.0 (4) | O22B—Na3—Na5—Na7ii | −37.88 (17) |
C22C—Fe3—C13C—C12C | 73.6 (5) | O21E—Na3—Na5—Na7ii | 173.5 (4) |
C24C—Fe3—C13C—C12C | 158.0 (4) | O22A—Na3—Na5—Na7ii | 143.29 (17) |
C14C—Fe3—C13C—C12C | −120.1 (6) | C2A—Na3—Na5—Na7ii | 118.03 (18) |
C25C—Fe3—C13C—C12C | −170.0 (6) | Na8ii—Na3—Na5—Na7ii | 55.04 (7) |
C21C—Fe3—C13C—C12C | 42.5 (10) | Na2—Na3—Na5—Na7ii | −173.27 (9) |
C11C—Fe3—C13C—C12C | −37.6 (4) | Na1—Na3—Na5—Na7ii | 116.25 (11) |
C23C—Fe3—C13C—C14C | −124.0 (4) | Na4—Na3—Na5—Na7ii | −168.92 (8) |
C15C—Fe3—C13C—C14C | 38.1 (4) | O12B—Na3—Na5—Na4 | 28.71 (11) |
C22C—Fe3—C13C—C14C | −166.3 (4) | O12Cii—Na3—Na5—Na4 | −165.49 (15) |
C24C—Fe3—C13C—C14C | −81.9 (5) | O21A—Na3—Na5—Na4 | −90.27 (13) |
C25C—Fe3—C13C—C14C | −49.9 (8) | O22B—Na3—Na5—Na4 | 131.04 (18) |
C12C—Fe3—C13C—C14C | 120.1 (6) | O21E—Na3—Na5—Na4 | −17.5 (4) |
C21C—Fe3—C13C—C14C | 162.6 (7) | O22A—Na3—Na5—Na4 | −47.79 (15) |
C11C—Fe3—C13C—C14C | 82.5 (4) | C2A—Na3—Na5—Na4 | −73.05 (17) |
C12C—C13C—C14C—C15C | 1.2 (8) | Na8ii—Na3—Na5—Na4 | −136.04 (8) |
Fe3—C13C—C14C—C15C | −58.6 (5) | Na2—Na3—Na5—Na4 | −4.35 (9) |
C12C—C13C—C14C—Fe3 | 59.8 (5) | Na1—Na3—Na5—Na4 | −74.83 (11) |
C23C—Fe3—C14C—C13C | 75.1 (5) | O12B—Na3—Na5—Na7iii | −23.50 (12) |
C15C—Fe3—C14C—C13C | −118.8 (6) | O12Cii—Na3—Na5—Na7iii | 142.30 (14) |
C22C—Fe3—C14C—C13C | 39.2 (12) | O21A—Na3—Na5—Na7iii | −142.49 (13) |
C24C—Fe3—C14C—C13C | 116.4 (4) | O22B—Na3—Na5—Na7iii | 78.83 (17) |
C25C—Fe3—C14C—C13C | 158.1 (4) | O21E—Na3—Na5—Na7iii | −69.8 (4) |
C12C—Fe3—C14C—C13C | −36.7 (4) | O22A—Na3—Na5—Na7iii | −100.01 (16) |
C21C—Fe3—C14C—C13C | −166.9 (6) | C2A—Na3—Na5—Na7iii | −125.27 (18) |
C11C—Fe3—C14C—C13C | −80.5 (4) | Na8ii—Na3—Na5—Na7iii | 171.75 (8) |
C23C—Fe3—C14C—C15C | −166.1 (5) | Na2—Na3—Na5—Na7iii | −56.57 (10) |
C22C—Fe3—C14C—C15C | 158.1 (9) | Na1—Na3—Na5—Na7iii | −127.04 (10) |
C13C—Fe3—C14C—C15C | 118.8 (6) | Na4—Na3—Na5—Na7iii | −52.21 (7) |
C24C—Fe3—C14C—C15C | −124.8 (5) | O12B—Na3—Na5—Na6iii | −76.99 (14) |
C25C—Fe3—C14C—C15C | −83.1 (5) | O12Cii—Na3—Na5—Na6iii | 88.82 (16) |
C12C—Fe3—C14C—C15C | 82.1 (4) | O21A—Na3—Na5—Na6iii | 164.03 (14) |
C21C—Fe3—C14C—C15C | −48.1 (9) | O22B—Na3—Na5—Na6iii | 25.34 (18) |
C11C—Fe3—C14C—C15C | 38.3 (4) | O21E—Na3—Na5—Na6iii | −123.2 (4) |
C13C—C14C—C15C—C11C | −2.6 (8) | O22A—Na3—Na5—Na6iii | −153.49 (19) |
Fe3—C14C—C15C—C11C | −61.6 (4) | C2A—Na3—Na5—Na6iii | −178.75 (19) |
C13C—C14C—C15C—Fe3 | 59.0 (5) | Na8ii—Na3—Na5—Na6iii | 118.26 (10) |
C12C—C11C—C15C—C14C | 2.9 (7) | Na2—Na3—Na5—Na6iii | −110.05 (10) |
C31C—C11C—C15C—C14C | −175.1 (6) | Na1—Na3—Na5—Na6iii | 179.47 (10) |
Fe3—C11C—C15C—C14C | 60.9 (4) | Na4—Na3—Na5—Na6iii | −105.70 (10) |
C12C—C11C—C15C—Fe3 | −58.0 (4) | C1C—O11C—Na6—O11Bii | 81.8 (7) |
C31C—C11C—C15C—Fe3 | 124.0 (6) | Na7—O11C—Na6—O11Bii | −85.6 (3) |
C23C—Fe3—C15C—C14C | 41.4 (12) | Na8—O11C—Na6—O11Bii | −175.3 (3) |
C22C—Fe3—C15C—C14C | −164.2 (7) | C1C—O11C—Na6—O21Biv | 142.5 (6) |
C13C—Fe3—C15C—C14C | −37.8 (4) | Na7—O11C—Na6—O21Biv | −24.89 (14) |
C24C—Fe3—C15C—C14C | 75.0 (5) | Na8—O11C—Na6—O21Biv | −114.58 (16) |
C25C—Fe3—C15C—C14C | 115.9 (5) | C1C—O11C—Na6—O22D | −136.9 (6) |
C12C—Fe3—C15C—C14C | −80.9 (5) | Na7—O11C—Na6—O22D | 55.6 (2) |
C21C—Fe3—C15C—C14C | 159.3 (5) | Na8—O11C—Na6—O22D | −34.1 (2) |
C11C—Fe3—C15C—C14C | −118.5 (6) | C1C—O11C—Na6—O21D | −103.0 (6) |
C23C—Fe3—C15C—C11C | 159.8 (9) | Na7—O11C—Na6—O21D | 89.52 (15) |
C22C—Fe3—C15C—C11C | −45.7 (9) | Na8—O11C—Na6—O21D | −0.16 (15) |
C13C—Fe3—C15C—C11C | 80.6 (4) | C1C—O11C—Na6—O21C | −16.3 (6) |
C24C—Fe3—C15C—C11C | −166.6 (4) | Na7—O11C—Na6—O21C | 176.23 (14) |
C14C—Fe3—C15C—C11C | 118.5 (6) | Na8—O11C—Na6—O21C | 86.54 (15) |
C25C—Fe3—C15C—C11C | −125.6 (4) | C1C—O11C—Na6—C2D | −117.6 (6) |
C12C—Fe3—C15C—C11C | 37.6 (4) | Na7—O11C—Na6—C2D | 75.01 (18) |
C21C—Fe3—C15C—C11C | −82.2 (5) | Na8—O11C—Na6—C2D | −14.7 (2) |
C23C—Fe3—C21C—C22C | −39.0 (4) | C1C—O11C—Na6—Na4ii | −98.1 (7) |
C15C—Fe3—C21C—C22C | 157.4 (4) | Na7—O11C—Na6—Na4ii | 94.5 (4) |
C13C—Fe3—C21C—C22C | 40.6 (10) | Na8—O11C—Na6—Na4ii | 4.8 (5) |
C24C—Fe3—C21C—C22C | −82.6 (4) | C1C—O11C—Na6—Na7 | 167.4 (6) |
C14C—Fe3—C21C—C22C | −168.0 (6) | Na8—O11C—Na6—Na7 | −89.69 (15) |
C25C—Fe3—C21C—C22C | −119.3 (5) | C1C—O11C—Na6—Na10 | −62.2 (6) |
C12C—Fe3—C21C—C22C | 72.9 (5) | Na7—O11C—Na6—Na10 | 130.42 (12) |
C11C—Fe3—C21C—C22C | 114.2 (4) | Na8—O11C—Na6—Na10 | 40.73 (12) |
C23C—Fe3—C21C—C25C | 80.3 (4) | C1C—O11C—Na6—Na5iv | 179.2 (5) |
C15C—Fe3—C21C—C25C | −83.2 (4) | Na7—O11C—Na6—Na5iv | 11.76 (14) |
C22C—Fe3—C21C—C25C | 119.3 (5) | Na8—O11C—Na6—Na5iv | −77.93 (14) |
C13C—Fe3—C21C—C25C | 159.9 (8) | C1C—O11C—Na6—Na8 | −102.9 (6) |
C24C—Fe3—C21C—C25C | 36.7 (4) | Na7—O11C—Na6—Na8 | 89.69 (15) |
C14C—Fe3—C21C—C25C | −48.7 (8) | C2D—O22D—Na6—O11C | 46.6 (4) |
C12C—Fe3—C21C—C25C | −167.8 (4) | Na4ii—O22D—Na6—O11C | 162.55 (17) |
C11C—Fe3—C21C—C25C | −126.4 (4) | Na5iv—O22D—Na6—O11C | −77.8 (2) |
C23C—Fe3—C21C—C41C | −159.2 (7) | C2D—O22D—Na6—O11Bii | −153.1 (4) |
C15C—Fe3—C21C—C41C | 37.2 (7) | Na4ii—O22D—Na6—O11Bii | −37.13 (15) |
C22C—Fe3—C21C—C41C | −120.2 (8) | Na5iv—O22D—Na6—O11Bii | 82.52 (16) |
C13C—Fe3—C21C—C41C | −79.6 (10) | C2D—O22D—Na6—O21Biv | 123.5 (4) |
C24C—Fe3—C21C—C41C | 157.2 (7) | Na4ii—O22D—Na6—O21Biv | −120.54 (17) |
C14C—Fe3—C21C—C41C | 71.8 (9) | Na5iv—O22D—Na6—O21Biv | −0.89 (17) |
C25C—Fe3—C21C—C41C | 120.5 (8) | C2D—O22D—Na6—O21D | 2.9 (4) |
C12C—Fe3—C21C—C41C | −47.3 (7) | Na4ii—O22D—Na6—O21D | 118.8 (2) |
C11C—Fe3—C21C—C41C | −5.9 (7) | Na5iv—O22D—Na6—O21D | −121.5 (2) |
C25C—C21C—C22C—C23C | 1.4 (7) | C2D—O22D—Na6—O21C | −65.8 (4) |
C41C—C21C—C22C—C23C | 178.6 (6) | Na4ii—O22D—Na6—O21C | 50.1 (2) |
Fe3—C21C—C22C—C23C | 60.0 (4) | Na5iv—O22D—Na6—O21C | 169.79 (16) |
C25C—C21C—C22C—Fe3 | −58.6 (4) | Na4ii—O22D—Na6—C2D | 116.0 (4) |
C41C—C21C—C22C—Fe3 | 118.6 (6) | Na5iv—O22D—Na6—C2D | −124.4 (4) |
C15C—Fe3—C22C—C23C | −168.8 (7) | C2D—O22D—Na6—Na4ii | −116.0 (4) |
C13C—Fe3—C22C—C23C | 76.6 (5) | Na5iv—O22D—Na6—Na4ii | 119.7 (2) |
C24C—Fe3—C22C—C23C | −36.8 (4) | C2D—O22D—Na6—Na7 | 82.3 (4) |
C14C—Fe3—C22C—C23C | 46.6 (12) | Na4ii—O22D—Na6—Na7 | −161.76 (13) |
C25C—Fe3—C22C—C23C | −79.7 (4) | Na5iv—O22D—Na6—Na7 | −42.11 (14) |
C12C—Fe3—C22C—C23C | 116.5 (5) | C2D—O22D—Na6—Na10 | −31.8 (4) |
C21C—Fe3—C22C—C23C | −117.5 (6) | Na4ii—O22D—Na6—Na10 | 84.20 (13) |
C11C—Fe3—C22C—C23C | 158.6 (4) | Na5iv—O22D—Na6—Na10 | −156.15 (14) |
C23C—Fe3—C22C—C21C | 117.5 (6) | C2D—O22D—Na6—Na5iv | 124.4 (4) |
C15C—Fe3—C22C—C21C | −51.3 (9) | Na4ii—O22D—Na6—Na5iv | −119.7 (2) |
C13C—Fe3—C22C—C21C | −165.9 (4) | C2D—O22D—Na6—Na8 | 24.0 (4) |
C24C—Fe3—C22C—C21C | 80.7 (4) | Na4ii—O22D—Na6—Na8 | 139.98 (13) |
C14C—Fe3—C22C—C21C | 164.1 (9) | Na5iv—O22D—Na6—Na8 | −100.37 (13) |
C25C—Fe3—C22C—C21C | 37.8 (4) | C2D—O21D—Na6—O11C | −146.8 (4) |
C12C—Fe3—C22C—C21C | −126.0 (4) | Na8—O21D—Na6—O11C | 0.18 (16) |
C11C—Fe3—C22C—C21C | −83.9 (5) | Na10—O21D—Na6—O11C | 94.55 (17) |
C21C—C22C—C23C—C24C | −1.3 (8) | C2D—O21D—Na6—O11Bii | 29.8 (4) |
Fe3—C22C—C23C—C24C | 59.7 (5) | Na8—O21D—Na6—O11Bii | 176.74 (18) |
C21C—C22C—C23C—Fe3 | −61.0 (4) | Na10—O21D—Na6—O11Bii | −88.9 (2) |
C15C—Fe3—C23C—C24C | 43.7 (11) | C2D—O21D—Na6—O21Biv | −70.9 (4) |
C22C—Fe3—C23C—C24C | −120.2 (6) | Na8—O21D—Na6—O21Biv | 76.0 (2) |
C13C—Fe3—C23C—C24C | 116.9 (4) | Na10—O21D—Na6—O21Biv | 170.38 (17) |
C14C—Fe3—C23C—C24C | 75.7 (5) | C2D—O21D—Na6—O22D | −2.9 (4) |
C25C—Fe3—C23C—C24C | −37.2 (4) | Na8—O21D—Na6—O22D | 144.1 (2) |
C12C—Fe3—C23C—C24C | 158.6 (4) | Na10—O21D—Na6—O22D | −121.5 (2) |
C21C—Fe3—C23C—C24C | −81.6 (4) | C2D—O21D—Na6—O21C | 117.3 (4) |
C11C—Fe3—C23C—C24C | −168.2 (5) | Na8—O21D—Na6—O21C | −95.71 (17) |
C15C—Fe3—C23C—C22C | 163.9 (9) | Na10—O21D—Na6—O21C | −1.34 (18) |
C13C—Fe3—C23C—C22C | −122.8 (5) | Na8—O21D—Na6—C2D | 147.0 (4) |
C24C—Fe3—C23C—C22C | 120.2 (6) | Na10—O21D—Na6—C2D | −118.7 (4) |
C14C—Fe3—C23C—C22C | −164.1 (5) | C2D—O21D—Na6—Na4ii | 34.9 (4) |
C25C—Fe3—C23C—C22C | 83.0 (4) | Na8—O21D—Na6—Na4ii | −178.16 (15) |
C12C—Fe3—C23C—C22C | −81.2 (5) | Na10—O21D—Na6—Na4ii | −83.79 (14) |
C21C—Fe3—C23C—C22C | 38.7 (4) | C2D—O21D—Na6—Na7 | −101.5 (4) |
C11C—Fe3—C23C—C22C | −47.9 (8) | Na8—O21D—Na6—Na7 | 45.49 (14) |
C22C—C23C—C24C—C25C | 0.7 (8) | Na10—O21D—Na6—Na7 | 139.86 (15) |
Fe3—C23C—C24C—C25C | 59.7 (5) | C2D—O21D—Na6—Na10 | 118.7 (4) |
C22C—C23C—C24C—Fe3 | −59.0 (5) | Na8—O21D—Na6—Na10 | −94.37 (19) |
C23C—Fe3—C24C—C25C | −119.3 (6) | C2D—O21D—Na6—Na5iv | −38.9 (4) |
C15C—Fe3—C24C—C25C | 75.4 (5) | Na8—O21D—Na6—Na5iv | 108.03 (14) |
C22C—Fe3—C24C—C25C | −81.7 (4) | Na10—O21D—Na6—Na5iv | −157.61 (16) |
C13C—Fe3—C24C—C25C | 159.8 (4) | C2D—O21D—Na6—Na8 | −147.0 (4) |
C14C—Fe3—C24C—C25C | 117.1 (4) | Na10—O21D—Na6—Na8 | 94.37 (19) |
C12C—Fe3—C24C—C25C | −166.4 (6) | C2C—O21C—Na6—O11C | 5.6 (5) |
C21C—Fe3—C24C—C25C | −37.6 (4) | Na2ii—O21C—Na6—O11C | −169.8 (2) |
C11C—Fe3—C24C—C25C | 42.4 (11) | Na10—O21C—Na6—O11C | −79.45 (16) |
C15C—Fe3—C24C—C23C | −165.2 (4) | C2C—O21C—Na6—O11Bii | −142.4 (5) |
C22C—Fe3—C24C—C23C | 37.6 (4) | Na2ii—O21C—Na6—O11Bii | 42.2 (2) |
C13C—Fe3—C24C—C23C | −80.9 (5) | Na10—O21C—Na6—O11Bii | 132.55 (15) |
C14C—Fe3—C24C—C23C | −123.6 (4) | C2C—O21C—Na6—O21Biv | −72.2 (7) |
C25C—Fe3—C24C—C23C | 119.3 (6) | Na2ii—O21C—Na6—O21Biv | 112.4 (5) |
C12C—Fe3—C24C—C23C | −47.1 (8) | Na10—O21C—Na6—O21Biv | −157.3 (5) |
C21C—Fe3—C24C—C23C | 81.7 (4) | C2C—O21C—Na6—O22D | 134.3 (5) |
C11C—Fe3—C24C—C23C | 161.7 (8) | Na2ii—O21C—Na6—O22D | −41.2 (3) |
C23C—C24C—C25C—C21C | 0.2 (8) | Na10—O21C—Na6—O22D | 49.2 (2) |
Fe3—C24C—C25C—C21C | 59.0 (4) | C2C—O21C—Na6—O21D | 86.3 (5) |
C23C—C24C—C25C—Fe3 | −58.8 (5) | Na2ii—O21C—Na6—O21D | −89.1 (2) |
C22C—C21C—C25C—C24C | −1.0 (7) | Na10—O21C—Na6—O21D | 1.21 (16) |
C41C—C21C—C25C—C24C | −178.2 (6) | C2C—O21C—Na6—C2D | 110.0 (5) |
Fe3—C21C—C25C—C24C | −59.0 (5) | Na2ii—O21C—Na6—C2D | −65.5 (3) |
C22C—C21C—C25C—Fe3 | 58.0 (4) | Na10—O21C—Na6—C2D | 24.9 (2) |
C41C—C21C—C25C—Fe3 | −119.2 (6) | C2C—O21C—Na6—Na4ii | 166.5 (5) |
C23C—Fe3—C25C—C24C | 37.7 (4) | Na2ii—O21C—Na6—Na4ii | −8.96 (19) |
C15C—Fe3—C25C—C24C | −124.2 (4) | Na10—O21C—Na6—Na4ii | 81.38 (12) |
C22C—Fe3—C25C—C24C | 82.3 (4) | C2C—O21C—Na6—Na7 | 9.8 (5) |
C13C—Fe3—C25C—C24C | −45.4 (8) | Na2ii—O21C—Na6—Na7 | −165.63 (14) |
C14C—Fe3—C25C—C24C | −80.9 (5) | Na10—O21C—Na6—Na7 | −75.3 (2) |
C12C—Fe3—C25C—C24C | 158.4 (9) | C2C—O21C—Na6—Na10 | 85.1 (5) |
C21C—Fe3—C25C—C24C | 120.0 (6) | Na2ii—O21C—Na6—Na10 | −90.3 (2) |
C11C—Fe3—C25C—C24C | −166.3 (4) | C2C—O21C—Na6—Na5iv | 150.1 (4) |
C23C—Fe3—C25C—C21C | −82.4 (4) | Na2ii—O21C—Na6—Na5iv | −25.3 (4) |
C15C—Fe3—C25C—C21C | 115.7 (4) | Na10—O21C—Na6—Na5iv | 65.0 (3) |
C22C—Fe3—C25C—C21C | −37.7 (3) | C2C—O21C—Na6—Na8 | 48.7 (5) |
C13C—Fe3—C25C—C21C | −165.4 (6) | Na2ii—O21C—Na6—Na8 | −126.77 (19) |
C24C—Fe3—C25C—C21C | −120.0 (6) | Na10—O21C—Na6—Na8 | −36.42 (13) |
C14C—Fe3—C25C—C21C | 159.1 (4) | O22D—C2D—Na6—O11C | −141.1 (4) |
C12C—Fe3—C25C—C21C | 38.4 (11) | O21D—C2D—Na6—O11C | 33.8 (4) |
C11C—Fe3—C25C—C21C | 73.7 (5) | Na4ii—C2D—Na6—O11C | 172.65 (15) |
C12C—C11C—C31C—C36C | −9.3 (10) | O22D—C2D—Na6—O11Bii | 28.2 (4) |
C15C—C11C—C31C—C36C | 168.3 (6) | O21D—C2D—Na6—O11Bii | −157.0 (4) |
Fe3—C11C—C31C—C36C | −102.5 (8) | Na4ii—C2D—Na6—O11Bii | −18.07 (17) |
C12C—C11C—C31C—C32C | 171.9 (6) | O22D—C2D—Na6—O21Biv | −58.3 (4) |
C15C—C11C—C31C—C32C | −10.5 (10) | O21D—C2D—Na6—O21Biv | 116.6 (4) |
Fe3—C11C—C31C—C32C | 78.8 (8) | Na4ii—C2D—Na6—O21Biv | −104.50 (16) |
C36C—C31C—C32C—C33C | −2.0 (9) | O21D—C2D—Na6—O22D | 174.9 (6) |
C11C—C31C—C32C—C33C | 176.8 (5) | Na4ii—C2D—Na6—O22D | −46.2 (3) |
C31C—C32C—C33C—C34C | 1.9 (10) | O22D—C2D—Na6—O21D | −174.9 (6) |
C32C—C33C—C34C—C35C | −0.4 (10) | Na4ii—C2D—Na6—O21D | 138.9 (4) |
C32C—C33C—C34C—C1C | −178.8 (6) | O22D—C2D—Na6—O21C | 120.9 (4) |
O11C—C1C—C34C—C33C | 15.8 (9) | O21D—C2D—Na6—O21C | −64.2 (4) |
O12C—C1C—C34C—C33C | −164.3 (6) | Na4ii—C2D—Na6—O21C | 74.71 (16) |
O11C—C1C—C34C—C35C | −162.5 (6) | O22D—C2D—Na6—Na4ii | 46.2 (3) |
O12C—C1C—C34C—C35C | 17.4 (9) | O21D—C2D—Na6—Na4ii | −138.9 (4) |
C33C—C34C—C35C—C36C | −0.9 (9) | O22D—C2D—Na6—Na7 | −98.1 (4) |
C1C—C34C—C35C—C36C | 177.5 (5) | O21D—C2D—Na6—Na7 | 76.8 (4) |
C32C—C31C—C36C—C35C | 0.7 (10) | Na4ii—C2D—Na6—Na7 | −144.35 (12) |
C11C—C31C—C36C—C35C | −178.1 (5) | O22D—C2D—Na6—Na10 | 142.2 (4) |
C34C—C35C—C36C—C31C | 0.8 (9) | O21D—C2D—Na6—Na10 | −42.9 (3) |
C22C—C21C—C41C—C46C | −7.7 (10) | Na4ii—C2D—Na6—Na10 | 95.97 (14) |
C25C—C21C—C41C—C46C | 169.0 (6) | O22D—C2D—Na6—Na5iv | −40.0 (3) |
Fe3—C21C—C41C—C46C | 80.1 (8) | O21D—C2D—Na6—Na5iv | 134.9 (4) |
C22C—C21C—C41C—C42C | 175.1 (6) | Na4ii—C2D—Na6—Na5iv | −86.25 (14) |
C25C—C21C—C41C—C42C | −8.2 (10) | O22D—C2D—Na6—Na8 | −152.5 (4) |
Fe3—C21C—C41C—C42C | −97.1 (7) | O21D—C2D—Na6—Na8 | 22.4 (3) |
C46C—C41C—C42C—C43C | −3.8 (9) | Na4ii—C2D—Na6—Na8 | 161.28 (16) |
C21C—C41C—C42C—C43C | 173.5 (5) | C1C—O11C—Na7—O21Biv | −141.8 (5) |
C41C—C42C—C43C—C44C | 0.4 (9) | Na6—O11C—Na7—O21Biv | 26.59 (14) |
C42C—C43C—C44C—C45C | 3.8 (9) | Na8—O11C—Na7—O21Biv | 124.27 (16) |
C42C—C43C—C44C—C2C | −171.9 (5) | C1C—O11C—Na7—O22Bi | 15.9 (5) |
O22C—C2C—C44C—C43C | −177.8 (6) | Na6—O11C—Na7—O22Bi | −175.69 (16) |
O21C—C2C—C44C—C43C | 2.6 (9) | Na8—O11C—Na7—O22Bi | −78.00 (16) |
Na10—C2C—C44C—C43C | −107.5 (19) | C1C—O11C—Na7—O12D | 140.4 (5) |
O22C—C2C—C44C—C45C | 6.5 (9) | Na6—O11C—Na7—O12D | −51.2 (2) |
O21C—C2C—C44C—C45C | −173.0 (6) | Na8—O11C—Na7—O12D | 46.5 (2) |
Na10—C2C—C44C—C45C | 77 (2) | C1C—O11C—Na7—O11Biv | −62.3 (7) |
C43C—C44C—C45C—C46C | −4.7 (9) | Na6—O11C—Na7—O11Biv | 106.1 (3) |
C2C—C44C—C45C—C46C | 171.1 (6) | Na8—O11C—Na7—O11Biv | −156.2 (3) |
C44C—C45C—C46C—C41C | 1.3 (10) | C1C—O11C—Na7—O11D | 94.6 (5) |
C42C—C41C—C46C—C45C | 2.9 (10) | Na6—O11C—Na7—O11D | −97.04 (16) |
C21C—C41C—C46C—C45C | −174.3 (5) | Na8—O11C—Na7—O11D | 0.65 (16) |
Na5i—O11D—C1D—O12D | −74.2 (7) | C1C—O11C—Na7—C1D | 116.6 (5) |
Na8—O11D—C1D—O12D | 86.8 (7) | Na6—O11C—Na7—C1D | −75.0 (2) |
Na7—O11D—C1D—O12D | 6.1 (7) | Na8—O11C—Na7—C1D | 22.7 (2) |
Na5i—O11D—C1D—C34D | 105.7 (5) | C1C—O11C—Na7—C2Bi | 0.4 (6) |
Na8—O11D—C1D—C34D | −93.3 (6) | Na6—O11C—Na7—C2Bi | 168.78 (16) |
Na7—O11D—C1D—C34D | −174.0 (5) | Na8—O11C—Na7—C2Bi | −93.54 (17) |
Na5i—O11D—C1D—Na7 | −80.3 (3) | C1C—O11C—Na7—Na5i | 53.4 (5) |
Na8—O11D—C1D—Na7 | 80.7 (3) | Na6—O11C—Na7—Na5i | −138.19 (12) |
Na5iv—O12D—C1D—O11D | −118.9 (7) | Na8—O11C—Na7—Na5i | −40.50 (16) |
Na4iv—O12D—C1D—O11D | 90.5 (7) | C1C—O11C—Na7—Na6 | −168.4 (6) |
Na7—O12D—C1D—O11D | −6.7 (7) | Na8—O11C—Na7—Na6 | 97.68 (16) |
Na5iv—O12D—C1D—C34D | 61.2 (8) | C1C—O11C—Na7—Na4iv | 166.8 (5) |
Na4iv—O12D—C1D—C34D | −89.4 (6) | Na6—O11C—Na7—Na4iv | −24.8 (5) |
Na7—O12D—C1D—C34D | 173.3 (5) | Na8—O11C—Na7—Na4iv | 72.9 (4) |
Na5iv—O12D—C1D—Na7 | −112.2 (6) | C1C—O11C—Na7—Na8 | 93.9 (5) |
Na4iv—O12D—C1D—Na7 | 97.3 (4) | Na6—O11C—Na7—Na8 | −97.68 (16) |
Na4ii—O22D—C2D—O21D | −95.9 (7) | C1D—O12D—Na7—O21Biv | −141.2 (4) |
Na6—O22D—C2D—O21D | −5.4 (7) | Na5iv—O12D—Na7—O21Biv | −0.43 (17) |
Na5iv—O22D—C2D—O21D | 91.4 (7) | Na4iv—O12D—Na7—O21Biv | 90.51 (17) |
Na4ii—O22D—C2D—C44D | 83.0 (6) | C1D—O12D—Na7—O22Bi | 39.9 (4) |
Na6—O22D—C2D—C44D | 173.5 (5) | Na5iv—O12D—Na7—O22Bi | −179.28 (17) |
Na5iv—O22D—C2D—C44D | −89.7 (6) | Na4iv—O12D—Na7—O22Bi | −88.3 (2) |
Na4ii—O22D—C2D—Na6 | −90.5 (3) | C1D—O12D—Na7—O11C | −64.3 (4) |
Na5iv—O22D—C2D—Na6 | 96.8 (4) | Na5iv—O12D—Na7—O11C | 76.6 (2) |
Na6—O22D—C2D—Na4ii | 90.5 (3) | Na4iv—O12D—Na7—O11C | 167.51 (17) |
Na5iv—O22D—C2D—Na4ii | −172.8 (6) | C1D—O12D—Na7—O11Biv | 128.4 (4) |
Na8—O21D—C2D—O22D | −104.3 (8) | Na5iv—O12D—Na7—O11Biv | −90.75 (17) |
Na10—O21D—C2D—O22D | 102.2 (6) | Na4iv—O12D—Na7—O11Biv | 0.20 (17) |
Na6—O21D—C2D—O22D | 5.4 (7) | C1D—O12D—Na7—O11D | 3.4 (4) |
Na8—O21D—C2D—C44D | 76.8 (9) | Na5iv—O12D—Na7—O11D | 144.2 (2) |
Na10—O21D—C2D—C44D | −76.7 (6) | Na4iv—O12D—Na7—O11D | −124.9 (2) |
Na6—O21D—C2D—C44D | −173.5 (5) | Na5iv—O12D—Na7—C1D | 140.8 (4) |
Na8—O21D—C2D—Na6 | −109.7 (7) | Na4iv—O12D—Na7—C1D | −128.2 (4) |
Na10—O21D—C2D—Na6 | 96.8 (3) | C1D—O12D—Na7—C2Bi | 66.3 (4) |
Na8—O21D—C2D—Na4ii | −153.6 (4) | Na5iv—O12D—Na7—C2Bi | −152.93 (19) |
Na10—O21D—C2D—Na4ii | 52.9 (5) | Na4iv—O12D—Na7—C2Bi | −62.0 (2) |
Na6—O21D—C2D—Na4ii | −44.0 (4) | C1D—O12D—Na7—Na5i | 45.9 (4) |
C13D—Fe4—C11D—C15D | −80.7 (4) | Na5iv—O12D—Na7—Na5i | −173.31 (15) |
C25D—Fe4—C11D—C15D | 81.8 (4) | Na4iv—O12D—Na7—Na5i | −82.37 (13) |
C12D—Fe4—C11D—C15D | −118.7 (5) | C1D—O12D—Na7—Na6 | −96.3 (4) |
C24D—Fe4—C11D—C15D | 47.8 (7) | Na5iv—O12D—Na7—Na6 | 44.47 (14) |
C14D—Fe4—C11D—C15D | −37.0 (4) | Na4iv—O12D—Na7—Na6 | 135.41 (14) |
C23D—Fe4—C11D—C15D | −161.8 (8) | C1D—O12D—Na7—Na4iv | 128.2 (4) |
C22D—Fe4—C11D—C15D | 165.8 (4) | Na5iv—O12D—Na7—Na4iv | −90.94 (18) |
C21D—Fe4—C11D—C15D | 124.8 (4) | C1D—O12D—Na7—Na8 | −32.3 (4) |
C13D—Fe4—C11D—C12D | 37.9 (4) | Na5iv—O12D—Na7—Na8 | 108.53 (14) |
C25D—Fe4—C11D—C12D | −159.6 (4) | Na4iv—O12D—Na7—Na8 | −160.53 (14) |
C24D—Fe4—C11D—C12D | 166.4 (6) | C1D—O11D—Na7—O21Biv | 40.3 (4) |
C14D—Fe4—C11D—C12D | 81.7 (4) | Na5i—O11D—Na7—O21Biv | 155.91 (18) |
C23D—Fe4—C11D—C12D | −43.1 (10) | Na8—O11D—Na7—O21Biv | −82.7 (2) |
C15D—Fe4—C11D—C12D | 118.7 (5) | C1D—O11D—Na7—O22Bi | −152.4 (4) |
C22D—Fe4—C11D—C12D | −75.6 (4) | Na5i—O11D—Na7—O22Bi | −36.84 (14) |
C21D—Fe4—C11D—C12D | −116.6 (4) | Na8—O11D—Na7—O22Bi | 84.53 (16) |
C13D—Fe4—C11D—C31D | 155.8 (7) | C1D—O11D—Na7—O11C | 122.4 (4) |
C25D—Fe4—C11D—C31D | −41.7 (7) | Na5i—O11D—Na7—O11C | −122.03 (16) |
C12D—Fe4—C11D—C31D | 117.9 (8) | Na8—O11D—Na7—O11C | −0.65 (17) |
C24D—Fe4—C11D—C31D | −75.7 (9) | C1D—O11D—Na7—O12D | −3.4 (4) |
C14D—Fe4—C11D—C31D | −160.4 (7) | Na5i—O11D—Na7—O12D | 112.21 (19) |
C23D—Fe4—C11D—C31D | 74.8 (11) | Na8—O11D—Na7—O12D | −126.4 (2) |
C15D—Fe4—C11D—C31D | −123.4 (8) | C1D—O11D—Na7—O11Biv | −72.4 (4) |
C22D—Fe4—C11D—C31D | 42.3 (7) | Na5i—O11D—Na7—O11Biv | 43.2 (2) |
C21D—Fe4—C11D—C31D | 1.4 (7) | Na8—O11D—Na7—O11Biv | 164.61 (17) |
C15D—C11D—C12D—C13D | −1.2 (7) | Na5i—O11D—Na7—C1D | 115.6 (4) |
C31D—C11D—C12D—C13D | 178.1 (6) | Na8—O11D—Na7—C1D | −123.0 (4) |
Fe4—C11D—C12D—C13D | −59.6 (4) | C1D—O11D—Na7—C2Bi | −135.8 (4) |
C15D—C11D—C12D—Fe4 | 58.4 (4) | Na5i—O11D—Na7—C2Bi | −20.22 (18) |
C31D—C11D—C12D—Fe4 | −122.3 (6) | Na8—O11D—Na7—C2Bi | 101.16 (18) |
C25D—Fe4—C12D—C13D | 165.1 (7) | C1D—O11D—Na7—Na5i | −115.6 (4) |
C24D—Fe4—C12D—C13D | −42.1 (12) | Na8—O11D—Na7—Na5i | 121.38 (19) |
C14D—Fe4—C12D—C13D | 37.7 (4) | C1D—O11D—Na7—Na6 | 79.4 (4) |
C23D—Fe4—C12D—C13D | −74.9 (5) | Na5i—O11D—Na7—Na6 | −164.96 (12) |
C15D—Fe4—C12D—C13D | 80.9 (5) | Na8—O11D—Na7—Na6 | −43.59 (13) |
C22D—Fe4—C12D—C13D | −116.2 (5) | C1D—O11D—Na7—Na4iv | −38.6 (4) |
C21D—Fe4—C12D—C13D | −159.4 (4) | Na5i—O11D—Na7—Na4iv | 76.98 (12) |
C11D—Fe4—C12D—C13D | 118.8 (6) | Na8—O11D—Na7—Na4iv | −161.64 (14) |
C13D—Fe4—C12D—C11D | −118.8 (6) | C1D—O11D—Na7—Na8 | 123.0 (4) |
C25D—Fe4—C12D—C11D | 46.3 (9) | Na5i—O11D—Na7—Na8 | −121.38 (19) |
C24D—Fe4—C12D—C11D | −160.9 (9) | O11D—C1D—Na7—O21Biv | −146.4 (4) |
C14D—Fe4—C12D—C11D | −81.1 (4) | O12D—C1D—Na7—O21Biv | 39.7 (4) |
C23D—Fe4—C12D—C11D | 166.3 (4) | O11D—C1D—Na7—O22Bi | 27.6 (4) |
C15D—Fe4—C12D—C11D | −37.9 (3) | O12D—C1D—Na7—O22Bi | −146.3 (4) |
C22D—Fe4—C12D—C11D | 125.0 (4) | O11D—C1D—Na7—O11C | −61.2 (4) |
C21D—Fe4—C12D—C11D | 81.8 (4) | O12D—C1D—Na7—O11C | 124.9 (4) |
C11D—C12D—C13D—C14D | 0.3 (8) | O11D—C1D—Na7—O12D | 173.9 (7) |
Fe4—C12D—C13D—C14D | −60.4 (5) | O11D—C1D—Na7—O11Biv | 118.2 (4) |
C11D—C12D—C13D—Fe4 | 60.8 (4) | O12D—C1D—Na7—O11Biv | −55.7 (4) |
C25D—Fe4—C13D—C14D | −40.2 (11) | O12D—C1D—Na7—O11D | −173.9 (7) |
C12D—Fe4—C13D—C14D | 119.0 (6) | O11D—C1D—Na7—C2Bi | 48.3 (4) |
C24D—Fe4—C13D—C14D | −75.4 (5) | O12D—C1D—Na7—C2Bi | −125.6 (4) |
C23D—Fe4—C13D—C14D | −116.1 (4) | O11D—C1D—Na7—Na5i | 47.8 (3) |
C15D—Fe4—C13D—C14D | 36.9 (4) | O12D—C1D—Na7—Na5i | −126.0 (4) |
C22D—Fe4—C13D—C14D | −158.2 (4) | O11D—C1D—Na7—Na6 | −102.4 (4) |
C21D—Fe4—C13D—C14D | 166.5 (6) | O12D—C1D—Na7—Na6 | 83.7 (4) |
C11D—Fe4—C13D—C14D | 80.8 (4) | O11D—C1D—Na7—Na4iv | 135.8 (4) |
C25D—Fe4—C13D—C12D | −159.2 (9) | O12D—C1D—Na7—Na4iv | −38.0 (3) |
C24D—Fe4—C13D—C12D | 165.6 (4) | O11D—C1D—Na7—Na8 | −42.8 (3) |
C14D—Fe4—C13D—C12D | −119.0 (6) | O12D—C1D—Na7—Na8 | 143.3 (4) |
C23D—Fe4—C13D—C12D | 124.9 (5) | O11C—Na6—Na7—O21Biv | −141.3 (2) |
C15D—Fe4—C13D—C12D | −82.0 (4) | O11Bii—Na6—Na7—O21Biv | −1.76 (19) |
C22D—Fe4—C13D—C12D | 82.8 (5) | O22D—Na6—Na7—O21Biv | 82.79 (18) |
C21D—Fe4—C13D—C12D | 47.5 (9) | O21D—Na6—Na7—O21Biv | 134.83 (18) |
C11D—Fe4—C13D—C12D | −38.2 (4) | O21C—Na6—Na7—O21Biv | −147.1 (2) |
C12D—C13D—C14D—C15D | 0.8 (8) | C2D—Na6—Na7—O21Biv | 108.9 (2) |
Fe4—C13D—C14D—C15D | −59.2 (5) | Na4ii—Na6—Na7—O21Biv | 65.55 (18) |
C12D—C13D—C14D—Fe4 | 60.0 (5) | Na10—Na6—Na7—O21Biv | 162.40 (16) |
C13D—Fe4—C14D—C15D | 119.9 (6) | Na5iv—Na6—Na7—O21Biv | 51.57 (14) |
C25D—Fe4—C14D—C15D | −74.0 (5) | Na8—Na6—Na7—O21Biv | 165.62 (16) |
C12D—Fe4—C14D—C15D | 81.9 (4) | O11C—Na6—Na7—O22Bi | 5.5 (2) |
C24D—Fe4—C14D—C15D | −116.3 (4) | O11Bii—Na6—Na7—O22Bi | 145.02 (19) |
C23D—Fe4—C14D—C15D | −158.0 (4) | O21Biv—Na6—Na7—O22Bi | 146.8 (2) |
C22D—Fe4—C14D—C15D | 169.6 (5) | O22D—Na6—Na7—O22Bi | −130.44 (19) |
C21D—Fe4—C14D—C15D | −41.7 (10) | O21D—Na6—Na7—O22Bi | −78.40 (19) |
C11D—Fe4—C14D—C15D | 37.5 (4) | O21C—Na6—Na7—O22Bi | −0.4 (3) |
C25D—Fe4—C14D—C13D | 166.1 (4) | C2D—Na6—Na7—O22Bi | −104.3 (2) |
C12D—Fe4—C14D—C13D | −38.0 (4) | Na4ii—Na6—Na7—O22Bi | −147.68 (16) |
C24D—Fe4—C14D—C13D | 123.8 (4) | Na10—Na6—Na7—O22Bi | −50.83 (18) |
C23D—Fe4—C14D—C13D | 82.2 (5) | Na5iv—Na6—Na7—O22Bi | −161.66 (17) |
C15D—Fe4—C14D—C13D | −119.9 (6) | Na8—Na6—Na7—O22Bi | −47.60 (16) |
C22D—Fe4—C14D—C13D | 49.7 (8) | O11Bii—Na6—Na7—O11C | 139.5 (2) |
C21D—Fe4—C14D—C13D | −161.6 (7) | O21Biv—Na6—Na7—O11C | 141.3 (2) |
C11D—Fe4—C14D—C13D | −82.4 (4) | O22D—Na6—Na7—O11C | −135.95 (19) |
C13D—C14D—C15D—C11D | −1.6 (8) | O21D—Na6—Na7—O11C | −83.91 (18) |
Fe4—C14D—C15D—C11D | −59.9 (5) | O21C—Na6—Na7—O11C | −5.9 (2) |
C13D—C14D—C15D—Fe4 | 58.4 (5) | C2D—Na6—Na7—O11C | −109.8 (2) |
C12D—C11D—C15D—C14D | 1.7 (8) | Na4ii—Na6—Na7—O11C | −153.19 (19) |
C31D—C11D—C15D—C14D | −177.6 (6) | Na10—Na6—Na7—O11C | −56.34 (15) |
Fe4—C11D—C15D—C14D | 59.5 (5) | Na5iv—Na6—Na7—O11C | −167.17 (16) |
C12D—C11D—C15D—Fe4 | −57.7 (4) | Na8—Na6—Na7—O11C | −53.11 (14) |
C31D—C11D—C15D—Fe4 | 122.9 (7) | O11C—Na6—Na7—O12D | 136.89 (19) |
C13D—Fe4—C15D—C14D | −37.4 (4) | O11Bii—Na6—Na7—O12D | −83.59 (18) |
C25D—Fe4—C15D—C14D | 124.4 (4) | O21Biv—Na6—Na7—O12D | −81.84 (18) |
C12D—Fe4—C15D—C14D | −81.5 (4) | O22D—Na6—Na7—O12D | 0.95 (16) |
C24D—Fe4—C15D—C14D | 81.4 (5) | O21D—Na6—Na7—O12D | 52.99 (16) |
C23D—Fe4—C15D—C14D | 48.5 (8) | O21C—Na6—Na7—O12D | 131.0 (2) |
C22D—Fe4—C15D—C14D | −164.4 (8) | C2D—Na6—Na7—O12D | 27.10 (19) |
C21D—Fe4—C15D—C14D | 165.6 (4) | Na4ii—Na6—Na7—O12D | −16.29 (17) |
C11D—Fe4—C15D—C14D | −119.8 (5) | Na10—Na6—Na7—O12D | 80.56 (14) |
C13D—Fe4—C15D—C11D | 82.4 (4) | Na5iv—Na6—Na7—O12D | −30.27 (12) |
C25D—Fe4—C15D—C11D | −115.8 (4) | Na8—Na6—Na7—O12D | 83.79 (12) |
C12D—Fe4—C15D—C11D | 38.3 (3) | O11C—Na6—Na7—O11Biv | −129.3 (2) |
C24D—Fe4—C15D—C11D | −158.8 (4) | O11Bii—Na6—Na7—O11Biv | 10.2 (2) |
C14D—Fe4—C15D—C11D | 119.8 (5) | O21Biv—Na6—Na7—O11Biv | 11.96 (19) |
C23D—Fe4—C15D—C11D | 168.3 (5) | O22D—Na6—Na7—O11Biv | 94.74 (19) |
C22D—Fe4—C15D—C11D | −44.6 (10) | O21D—Na6—Na7—O11Biv | 146.79 (19) |
C21D—Fe4—C15D—C11D | −74.6 (4) | O21C—Na6—Na7—O11Biv | −135.2 (2) |
C13D—Fe4—C21D—C25D | 167.9 (6) | C2D—Na6—Na7—O11Biv | 120.9 (2) |
C12D—Fe4—C21D—C25D | −158.1 (4) | Na4ii—Na6—Na7—O11Biv | 77.5 (2) |
C24D—Fe4—C21D—C25D | 38.7 (4) | Na10—Na6—Na7—O11Biv | 174.36 (15) |
C14D—Fe4—C21D—C25D | −42.0 (10) | Na5iv—Na6—Na7—O11Biv | 63.53 (16) |
C23D—Fe4—C21D—C25D | 81.7 (4) | Na8—Na6—Na7—O11Biv | 177.58 (18) |
C15D—Fe4—C21D—C25D | −73.8 (5) | O11C—Na6—Na7—O11D | 86.62 (18) |
C22D—Fe4—C21D—C25D | 118.6 (5) | O11Bii—Na6—Na7—O11D | −133.87 (17) |
C11D—Fe4—C21D—C25D | −115.0 (4) | O21Biv—Na6—Na7—O11D | −132.12 (19) |
C13D—Fe4—C21D—C22D | 49.3 (8) | O22D—Na6—Na7—O11D | −49.33 (16) |
C25D—Fe4—C21D—C22D | −118.6 (5) | O21D—Na6—Na7—O11D | 2.71 (15) |
C12D—Fe4—C21D—C22D | 83.3 (4) | O21C—Na6—Na7—O11D | 80.7 (2) |
C24D—Fe4—C21D—C22D | −79.8 (4) | C2D—Na6—Na7—O11D | −23.17 (19) |
C14D—Fe4—C21D—C22D | −160.6 (8) | Na4ii—Na6—Na7—O11D | −66.57 (16) |
C23D—Fe4—C21D—C22D | −36.8 (4) | Na10—Na6—Na7—O11D | 30.28 (14) |
C15D—Fe4—C21D—C22D | 167.6 (4) | Na5iv—Na6—Na7—O11D | −80.55 (11) |
C11D—Fe4—C21D—C22D | 126.4 (4) | Na8—Na6—Na7—O11D | 33.51 (11) |
C13D—Fe4—C21D—C41D | −71.3 (9) | O11C—Na6—Na7—C1D | 111.5 (2) |
C25D—Fe4—C21D—C41D | 120.8 (8) | O11Bii—Na6—Na7—C1D | −109.0 (2) |
C12D—Fe4—C21D—C41D | −37.2 (7) | O21Biv—Na6—Na7—C1D | −107.2 (2) |
C24D—Fe4—C21D—C41D | 159.6 (7) | O22D—Na6—Na7—C1D | −24.44 (19) |
C14D—Fe4—C21D—C41D | 78.8 (10) | O21D—Na6—Na7—C1D | 27.60 (19) |
C23D—Fe4—C21D—C41D | −157.4 (7) | O21C—Na6—Na7—C1D | 105.6 (2) |
C15D—Fe4—C21D—C41D | 47.0 (7) | C2D—Na6—Na7—C1D | 1.7 (2) |
C22D—Fe4—C21D—C41D | −120.6 (7) | Na4ii—Na6—Na7—C1D | −41.7 (2) |
C11D—Fe4—C21D—C41D | 5.8 (6) | Na10—Na6—Na7—C1D | 55.17 (17) |
C25D—C21D—C22D—C23D | 1.2 (7) | Na5iv—Na6—Na7—C1D | −55.66 (16) |
C41D—C21D—C22D—C23D | 178.0 (6) | Na8—Na6—Na7—C1D | 58.40 (16) |
Fe4—C21D—C22D—C23D | 59.0 (4) | O11C—Na6—Na7—C2Bi | −18.6 (3) |
C25D—C21D—C22D—Fe4 | −57.9 (4) | O11Bii—Na6—Na7—C2Bi | 120.9 (3) |
C41D—C21D—C22D—Fe4 | 119.0 (6) | O21Biv—Na6—Na7—C2Bi | 122.6 (3) |
C13D—Fe4—C22D—C23D | 81.1 (4) | O22D—Na6—Na7—C2Bi | −154.6 (2) |
C25D—Fe4—C22D—C23D | −82.0 (4) | O21D—Na6—Na7—C2Bi | −102.5 (3) |
C12D—Fe4—C22D—C23D | 124.3 (4) | O21C—Na6—Na7—C2Bi | −24.5 (3) |
C24D—Fe4—C22D—C23D | −37.3 (4) | C2D—Na6—Na7—C2Bi | −128.4 (3) |
C14D—Fe4—C22D—C23D | 45.8 (8) | Na4ii—Na6—Na7—C2Bi | −171.8 (2) |
C15D—Fe4—C22D—C23D | −158.7 (8) | Na10—Na6—Na7—C2Bi | −75.0 (2) |
C21D—Fe4—C22D—C23D | −120.2 (5) | Na5iv—Na6—Na7—C2Bi | 174.2 (2) |
C11D—Fe4—C22D—C23D | 166.5 (4) | Na8—Na6—Na7—C2Bi | −71.7 (2) |
C13D—Fe4—C22D—C21D | −158.6 (4) | O11C—Na6—Na7—Na5i | 70.12 (19) |
C25D—Fe4—C22D—C21D | 38.2 (3) | O11Bii—Na6—Na7—Na5i | −150.37 (16) |
C12D—Fe4—C22D—C21D | −115.5 (4) | O21Biv—Na6—Na7—Na5i | −148.6 (2) |
C24D—Fe4—C22D—C21D | 82.9 (4) | O22D—Na6—Na7—Na5i | −65.83 (18) |
C14D—Fe4—C22D—C21D | 166.0 (6) | O21D—Na6—Na7—Na5i | −13.79 (18) |
C23D—Fe4—C22D—C21D | 120.2 (5) | O21C—Na6—Na7—Na5i | 64.2 (2) |
C15D—Fe4—C22D—C21D | −38.4 (10) | C2D—Na6—Na7—Na5i | −39.7 (2) |
C11D—Fe4—C22D—C21D | −73.3 (4) | Na4ii—Na6—Na7—Na5i | −83.07 (18) |
C21D—C22D—C23D—C24D | 0.0 (8) | Na10—Na6—Na7—Na5i | 13.78 (17) |
Fe4—C22D—C23D—C24D | 59.3 (5) | Na5iv—Na6—Na7—Na5i | −97.05 (15) |
C21D—C22D—C23D—Fe4 | −59.4 (5) | Na8—Na6—Na7—Na5i | 17.01 (13) |
C13D—Fe4—C23D—C24D | 123.6 (4) | O11C—Na6—Na7—Na4iv | 170.70 (17) |
C25D—Fe4—C23D—C24D | −37.8 (4) | O11Bii—Na6—Na7—Na4iv | −49.79 (17) |
C12D—Fe4—C23D—C24D | 165.2 (4) | O21Biv—Na6—Na7—Na4iv | −48.03 (15) |
C14D—Fe4—C23D—C24D | 81.0 (5) | O22D—Na6—Na7—Na4iv | 34.75 (14) |
C15D—Fe4—C23D—C24D | 47.1 (8) | O21D—Na6—Na7—Na4iv | 86.79 (13) |
C22D—Fe4—C23D—C24D | −119.3 (5) | O21C—Na6—Na7—Na4iv | 164.83 (17) |
C21D—Fe4—C23D—C24D | −82.0 (4) | C2D—Na6—Na7—Na4iv | 60.91 (18) |
C11D—Fe4—C23D—C24D | −161.1 (8) | Na4ii—Na6—Na7—Na4iv | 17.51 (16) |
C13D—Fe4—C23D—C22D | −117.1 (4) | Na10—Na6—Na7—Na4iv | 114.36 (10) |
C25D—Fe4—C23D—C22D | 81.5 (4) | Na5iv—Na6—Na7—Na4iv | 3.53 (8) |
C12D—Fe4—C23D—C22D | −75.6 (4) | Na8—Na6—Na7—Na4iv | 117.59 (10) |
C24D—Fe4—C23D—C22D | 119.3 (5) | O11C—Na6—Na7—Na8 | 53.11 (14) |
C14D—Fe4—C23D—C22D | −159.7 (4) | O11Bii—Na6—Na7—Na8 | −167.38 (16) |
C15D—Fe4—C23D—C22D | 166.3 (5) | O21Biv—Na6—Na7—Na8 | −165.62 (16) |
C21D—Fe4—C23D—C22D | 37.3 (4) | O22D—Na6—Na7—Na8 | −82.84 (12) |
C11D—Fe4—C23D—C22D | −41.8 (10) | O21D—Na6—Na7—Na8 | −30.80 (11) |
C22D—C23D—C24D—C25D | −1.2 (8) | O21C—Na6—Na7—Na8 | 47.24 (19) |
Fe4—C23D—C24D—C25D | 58.5 (5) | C2D—Na6—Na7—Na8 | −56.68 (16) |
C22D—C23D—C24D—Fe4 | −59.7 (5) | Na4ii—Na6—Na7—Na8 | −100.08 (12) |
C13D—Fe4—C24D—C23D | −75.4 (5) | Na10—Na6—Na7—Na8 | −3.23 (8) |
C25D—Fe4—C24D—C23D | 120.1 (6) | Na5iv—Na6—Na7—Na8 | −114.06 (7) |
C12D—Fe4—C24D—C23D | −43.0 (11) | C2D—O21D—Na8—O21Ai | −72.5 (9) |
C14D—Fe4—C24D—C23D | −116.7 (4) | Na10—O21D—Na8—O21Ai | 84.4 (5) |
C15D—Fe4—C24D—C23D | −158.5 (4) | Na6—O21D—Na8—O21Ai | −179.6 (4) |
C22D—Fe4—C24D—C23D | 37.6 (4) | C2D—O21D—Na8—O11D | 12.7 (7) |
C21D—Fe4—C24D—C23D | 81.6 (4) | Na10—O21D—Na8—O11D | 169.55 (14) |
C11D—Fe4—C24D—C23D | 167.6 (5) | Na6—O21D—Na8—O11D | −94.40 (15) |
C13D—Fe4—C24D—C25D | 164.5 (4) | C2D—O21D—Na8—O11C | 107.0 (7) |
C12D—Fe4—C24D—C25D | −163.1 (8) | Na10—O21D—Na8—O11C | −96.22 (15) |
C14D—Fe4—C24D—C25D | 123.2 (4) | Na6—O21D—Na8—O11C | −0.17 (15) |
C23D—Fe4—C24D—C25D | −120.1 (6) | C2D—O21D—Na8—O12E | −130.3 (7) |
C15D—Fe4—C24D—C25D | 81.4 (5) | Na10—O21D—Na8—O12E | 26.54 (14) |
C22D—Fe4—C24D—C25D | −82.5 (4) | Na6—O21D—Na8—O12E | 122.59 (16) |
C21D—Fe4—C24D—C25D | −38.4 (4) | C2D—O21D—Na8—O12C | 140.9 (7) |
C11D—Fe4—C24D—C25D | 47.5 (8) | Na10—O21D—Na8—O12C | −62.3 (2) |
C23D—C24D—C25D—C21D | 1.9 (8) | Na6—O21D—Na8—O12C | 33.8 (2) |
Fe4—C24D—C25D—C21D | 61.4 (4) | C2D—O21D—Na8—C1C | 124.5 (7) |
C23D—C24D—C25D—Fe4 | −59.5 (5) | Na10—O21D—Na8—C1C | −78.69 (19) |
C22D—C21D—C25D—C24D | −1.8 (7) | Na6—O21D—Na8—C1C | 17.4 (2) |
C41D—C21D—C25D—C24D | −178.6 (6) | C2D—O21D—Na8—C2Ai | −37.2 (9) |
Fe4—C21D—C25D—C24D | −60.5 (4) | Na10—O21D—Na8—C2Ai | 119.6 (3) |
C22D—C21D—C25D—Fe4 | 58.6 (4) | Na6—O21D—Na8—C2Ai | −144.4 (3) |
C41D—C21D—C25D—Fe4 | −118.2 (6) | C2D—O21D—Na8—Na3i | 93.5 (8) |
C13D—Fe4—C25D—C24D | −45.6 (11) | Na10—O21D—Na8—Na3i | −109.7 (4) |
C12D—Fe4—C25D—C24D | 167.9 (7) | Na6—O21D—Na8—Na3i | −13.6 (4) |
C14D—Fe4—C25D—C24D | −76.4 (5) | C2D—O21D—Na8—Na10 | −156.8 (8) |
C23D—Fe4—C25D—C24D | 36.6 (4) | Na6—O21D—Na8—Na10 | 96.05 (17) |
C15D—Fe4—C25D—C24D | −116.7 (4) | C2D—O21D—Na8—Na9 | −171.4 (7) |
C22D—Fe4—C25D—C24D | 79.9 (4) | Na10—O21D—Na8—Na9 | −14.55 (15) |
C21D—Fe4—C25D—C24D | 118.0 (6) | Na6—O21D—Na8—Na9 | 81.50 (15) |
C11D—Fe4—C25D—C24D | −159.1 (4) | C2D—O21D—Na8—Na7 | 62.7 (7) |
C13D—Fe4—C25D—C21D | −163.6 (9) | Na10—O21D—Na8—Na7 | −140.45 (12) |
C12D—Fe4—C25D—C21D | 49.9 (9) | Na6—O21D—Na8—Na7 | −44.39 (13) |
C24D—Fe4—C25D—C21D | −118.0 (6) | C1D—O11D—Na8—O21D | −0.7 (5) |
C14D—Fe4—C25D—C21D | 165.6 (4) | Na5i—O11D—Na8—O21D | 159.4 (2) |
C23D—Fe4—C25D—C21D | −81.4 (4) | Na7—O11D—Na8—O21D | 82.15 (15) |
C15D—Fe4—C25D—C21D | 125.4 (4) | C1D—O11D—Na8—O21Ai | 156.0 (5) |
C22D—Fe4—C25D—C21D | −38.0 (4) | Na5i—O11D—Na8—O21Ai | −43.8 (2) |
C11D—Fe4—C25D—C21D | 83.0 (5) | Na7—O11D—Na8—O21Ai | −121.10 (15) |
C15D—C11D—C31D—C32D | 10.9 (10) | C1D—O11D—Na8—O11C | −82.3 (5) |
C12D—C11D—C31D—C32D | −168.3 (6) | Na5i—O11D—Na8—O11C | 77.9 (2) |
Fe4—C11D—C31D—C32D | 103.5 (7) | Na7—O11D—Na8—O11C | 0.62 (16) |
C15D—C11D—C31D—C36D | −169.9 (6) | C1D—O11D—Na8—O12E | 78.0 (6) |
C12D—C11D—C31D—C36D | 10.9 (10) | Na5i—O11D—Na8—O12E | −121.8 (3) |
Fe4—C11D—C31D—C36D | −77.2 (8) | Na7—O11D—Na8—O12E | 160.9 (3) |
C36D—C31D—C32D—C33D | 0.8 (9) | C1D—O11D—Na8—O12C | −129.7 (5) |
C11D—C31D—C32D—C33D | −179.9 (5) | Na5i—O11D—Na8—O12C | 30.5 (3) |
C31D—C32D—C33D—C34D | −1.2 (9) | Na7—O11D—Na8—O12C | −46.8 (2) |
C32D—C33D—C34D—C35D | −0.3 (9) | C1D—O11D—Na8—C1C | −102.7 (5) |
C32D—C33D—C34D—C1D | −179.9 (5) | Na5i—O11D—Na8—C1C | 57.5 (3) |
O11D—C1D—C34D—C35D | 164.6 (6) | Na7—O11D—Na8—C1C | −19.8 (2) |
O12D—C1D—C34D—C35D | −15.5 (9) | C1D—O11D—Na8—C2Ai | 149.5 (5) |
O11D—C1D—C34D—C33D | −15.8 (9) | Na5i—O11D—Na8—C2Ai | −50.3 (2) |
O12D—C1D—C34D—C33D | 164.1 (6) | Na7—O11D—Na8—C2Ai | −127.62 (18) |
C33D—C34D—C35D—C36D | 2.1 (9) | C1D—O11D—Na8—Na3i | −158.2 (5) |
C1D—C34D—C35D—C36D | −178.2 (5) | Na5i—O11D—Na8—Na3i | 1.94 (18) |
C34D—C35D—C36D—C31D | −2.6 (10) | Na7—O11D—Na8—Na3i | −75.35 (11) |
C32D—C31D—C36D—C35D | 1.1 (9) | C1D—O11D—Na8—Na10 | 9.6 (5) |
C11D—C31D—C36D—C35D | −178.2 (6) | Na5i—O11D—Na8—Na10 | 169.81 (13) |
C25D—C21D—C41D—C42D | 7.7 (10) | Na7—O11D—Na8—Na10 | 92.52 (17) |
C22D—C21D—C41D—C42D | −168.4 (6) | C1D—O11D—Na8—Na9 | −167.9 (5) |
Fe4—C21D—C41D—C42D | −79.8 (7) | Na5i—O11D—Na8—Na9 | −7.7 (6) |
C25D—C21D—C41D—C46D | −171.9 (6) | Na7—O11D—Na8—Na9 | −85.0 (4) |
C22D—C21D—C41D—C46D | 11.9 (10) | C1D—O11D—Na8—Na7 | −82.9 (5) |
Fe4—C21D—C41D—C46D | 100.6 (7) | Na5i—O11D—Na8—Na7 | 77.28 (17) |
C46D—C41D—C42D—C43D | −1.3 (9) | C1C—O11C—Na8—O21D | 137.2 (4) |
C21D—C41D—C42D—C43D | 179.1 (5) | Na6—O11C—Na8—O21D | 0.18 (16) |
C41D—C42D—C43D—C44D | −0.3 (9) | Na7—O11C—Na8—O21D | −91.88 (16) |
C42D—C43D—C44D—C45D | 0.7 (9) | C1C—O11C—Na8—O21Ai | −43.1 (4) |
C42D—C43D—C44D—C2D | −177.2 (5) | Na6—O11C—Na8—O21Ai | 179.90 (17) |
O22D—C2D—C44D—C45D | −13.4 (9) | Na7—O11C—Na8—O21Ai | 87.8 (2) |
O21D—C2D—C44D—C45D | 165.6 (6) | C1C—O11C—Na8—O11D | −131.6 (4) |
Na4ii—C2D—C44D—C45D | 31.0 (6) | Na6—O11C—Na8—O11D | 91.37 (17) |
O22D—C2D—C44D—C43D | 164.4 (6) | Na7—O11C—Na8—O11D | −0.69 (18) |
O21D—C2D—C44D—C43D | −16.6 (9) | C1C—O11C—Na8—O12E | 62.1 (4) |
Na4ii—C2D—C44D—C43D | −151.2 (5) | Na6—O11C—Na8—O12E | −74.9 (2) |
C43D—C44D—C45D—C46D | 0.5 (9) | Na7—O11C—Na8—O12E | −166.93 (17) |
C2D—C44D—C45D—C46D | 178.4 (5) | C1C—O11C—Na8—O12C | −5.5 (4) |
C44D—C45D—C46D—C41D | −2.1 (9) | Na6—O11C—Na8—O12C | −142.5 (2) |
C42D—C41D—C46D—C45D | 2.4 (9) | Na7—O11C—Na8—O12C | 125.4 (2) |
C21D—C41D—C46D—C45D | −177.9 (5) | Na6—O11C—Na8—C1C | −137.0 (4) |
Na1i—O11E—C1E—O12E | −59.3 (9) | Na7—O11C—Na8—C1C | 130.9 (4) |
Na9—O11E—C1E—O12E | 17.6 (7) | C1C—O11C—Na8—C2Ai | −68.4 (4) |
Na1i—O11E—C1E—C34E | 119.8 (5) | Na6—O11C—Na8—C2Ai | 154.62 (19) |
Na9—O11E—C1E—C34E | −163.3 (5) | Na7—O11C—Na8—C2Ai | 62.6 (2) |
Na1i—O11E—C1E—Na9 | −76.8 (3) | C1C—O11C—Na8—Na3i | −48.1 (4) |
Na10—O12E—C1E—O11E | −117.2 (7) | Na6—O11C—Na8—Na3i | 174.89 (15) |
Na9—O12E—C1E—O11E | −18.3 (7) | Na7—O11C—Na8—Na3i | 82.83 (13) |
Na8—O12E—C1E—O11E | 67.3 (8) | C1C—O11C—Na8—Na10 | 93.1 (4) |
Na10—O12E—C1E—C34E | 63.7 (9) | Na6—O11C—Na8—Na10 | −43.87 (13) |
Na9—O12E—C1E—C34E | 162.7 (5) | Na7—O11C—Na8—Na10 | −135.93 (13) |
Na8—O12E—C1E—C34E | −111.8 (6) | C1C—O11C—Na8—Na9 | 30.3 (4) |
Na10—O12E—C1E—Na9 | −99.0 (6) | Na6—O11C—Na8—Na9 | −106.65 (14) |
Na8—O12E—C1E—Na9 | 85.6 (4) | Na7—O11C—Na8—Na9 | 161.29 (14) |
Na2—O21E—C2E—O22E | −87.7 (9) | C1C—O11C—Na8—Na7 | −130.9 (4) |
Na3—O21E—C2E—O22E | 69.3 (8) | Na6—O11C—Na8—Na7 | 92.06 (18) |
Na1—O21E—C2E—O22E | −6.9 (6) | C1E—O12E—Na8—O21D | 150.3 (5) |
Na2—O21E—C2E—C44E | 93.6 (8) | Na10—O12E—Na8—O21D | −26.82 (14) |
Na3—O21E—C2E—C44E | −109.4 (6) | Na9—O12E—Na8—O21D | −120.45 (16) |
Na1—O21E—C2E—C44E | 174.3 (6) | C1E—O12E—Na8—O21Ai | −10.1 (5) |
Na2—O21E—C2E—Na1 | −80.7 (6) | Na10—O12E—Na8—O21Ai | 172.79 (15) |
Na3—O21E—C2E—Na1 | 76.3 (3) | Na9—O12E—Na8—O21Ai | 79.16 (16) |
Na9ii—O22E—C2E—O21E | −82.3 (8) | C1E—O12E—Na8—O11D | 68.2 (6) |
Na1—O22E—C2E—O21E | 8.0 (7) | Na10—O12E—Na8—O11D | −109.0 (3) |
Na9ii—O22E—C2E—C44E | 96.5 (6) | Na9—O12E—Na8—O11D | 157.4 (3) |
Na1—O22E—C2E—C44E | −173.2 (5) | C1E—O12E—Na8—O11C | −134.8 (5) |
Na9ii—O22E—C2E—Na1 | −90.3 (4) | Na10—O12E—Na8—O11C | 48.0 (2) |
C12E—Fe5—C11E—C15E | −118.3 (6) | Na9—O12E—Na8—O11C | −45.6 (2) |
C25E—Fe5—C11E—C15E | 75.7 (5) | C1E—O12E—Na8—O12C | −88.2 (5) |
C13E—Fe5—C11E—C15E | −80.9 (4) | Na10—O12E—Na8—O12C | 94.69 (16) |
C23E—Fe5—C11E—C15E | −166.4 (6) | Na9—O12E—Na8—O12C | 1.06 (16) |
C21E—Fe5—C11E—C15E | 117.5 (4) | C1E—O12E—Na8—C1C | −111.2 (5) |
C24E—Fe5—C11E—C15E | 42.8 (9) | Na10—O12E—Na8—C1C | 71.7 (2) |
C14E—Fe5—C11E—C15E | −36.9 (4) | Na9—O12E—Na8—C1C | −21.9 (2) |
C22E—Fe5—C11E—C15E | 159.6 (4) | C1E—O12E—Na8—C2Ai | 7.0 (6) |
C25E—Fe5—C11E—C12E | −166.0 (4) | Na10—O12E—Na8—C2Ai | −170.09 (15) |
C13E—Fe5—C11E—C12E | 37.4 (4) | Na9—O12E—Na8—C2Ai | 96.29 (17) |
C15E—Fe5—C11E—C12E | 118.3 (6) | C1E—O12E—Na8—Na3i | −46.7 (6) |
C23E—Fe5—C11E—C12E | −48.1 (8) | Na10—O12E—Na8—Na3i | 136.15 (12) |
C21E—Fe5—C11E—C12E | −124.2 (4) | Na9—O12E—Na8—Na3i | 42.52 (16) |
C24E—Fe5—C11E—C12E | 161.1 (7) | C1E—O12E—Na8—Na10 | 177.1 (6) |
C14E—Fe5—C11E—C12E | 81.4 (4) | Na9—O12E—Na8—Na10 | −93.63 (15) |
C22E—Fe5—C11E—C12E | −82.1 (5) | C1E—O12E—Na8—Na9 | −89.3 (5) |
C12E—Fe5—C11E—C31E | 118.6 (9) | Na10—O12E—Na8—Na9 | 93.63 (15) |
C25E—Fe5—C11E—C31E | −47.4 (8) | C1E—O12E—Na8—Na7 | −164.6 (5) |
C13E—Fe5—C11E—C31E | 156.0 (8) | Na10—O12E—Na8—Na7 | 18.3 (5) |
C15E—Fe5—C11E—C31E | −123.1 (8) | Na9—O12E—Na8—Na7 | −75.3 (4) |
C23E—Fe5—C11E—C31E | 70.4 (10) | C1C—O12C—Na8—O21D | −39.2 (4) |
C21E—Fe5—C11E—C31E | −5.7 (7) | Na3i—O12C—Na8—O21D | −156.33 (18) |
C24E—Fe5—C11E—C31E | −80.3 (11) | Na9—O12C—Na8—O21D | 81.3 (2) |
C14E—Fe5—C11E—C31E | −160.1 (8) | C1C—O12C—Na8—O21Ai | 153.6 (4) |
C22E—Fe5—C11E—C31E | 36.5 (8) | Na3i—O12C—Na8—O21Ai | 36.49 (15) |
C15E—C11E—C12E—C13E | −1.7 (8) | Na9—O12C—Na8—O21Ai | −85.93 (16) |
C31E—C11E—C12E—C13E | 175.3 (6) | C1C—O12C—Na8—O11D | 74.9 (4) |
Fe5—C11E—C12E—C13E | −60.2 (5) | Na3i—O12C—Na8—O11D | −42.2 (2) |
C15E—C11E—C12E—Fe5 | 58.5 (5) | Na9—O12C—Na8—O11D | −164.65 (18) |
C31E—C11E—C12E—Fe5 | −124.4 (7) | C1C—O12C—Na8—O11C | 5.5 (4) |
C25E—Fe5—C12E—C13E | 159.8 (9) | Na3i—O12C—Na8—O11C | −111.62 (18) |
C15E—Fe5—C12E—C13E | 81.1 (5) | Na9—O12C—Na8—O11C | 126.0 (2) |
C23E—Fe5—C12E—C13E | −80.7 (5) | C1C—O12C—Na8—O12E | −121.5 (4) |
C21E—Fe5—C12E—C13E | −165.7 (5) | Na3i—O12C—Na8—O12E | 121.33 (16) |
C24E—Fe5—C12E—C13E | −45.9 (9) | Na9—O12C—Na8—O12E | −1.08 (17) |
C14E—Fe5—C12E—C13E | 37.7 (4) | Na3i—O12C—Na8—C1C | −117.1 (4) |
C22E—Fe5—C12E—C13E | −123.9 (5) | Na9—O12C—Na8—C1C | 120.5 (4) |
C11E—Fe5—C12E—C13E | 119.1 (6) | C1C—O12C—Na8—C2Ai | 139.7 (4) |
C25E—Fe5—C12E—C11E | 40.6 (11) | Na3i—O12C—Na8—C2Ai | 22.55 (18) |
C13E—Fe5—C12E—C11E | −119.1 (6) | Na9—O12C—Na8—C2Ai | −99.86 (18) |
C15E—Fe5—C12E—C11E | −38.1 (4) | C1C—O12C—Na8—Na3i | 117.1 (4) |
C23E—Fe5—C12E—C11E | 160.2 (4) | Na9—O12C—Na8—Na3i | −122.41 (19) |
C21E—Fe5—C12E—C11E | 75.2 (5) | C1C—O12C—Na8—Na10 | −77.7 (4) |
C24E—Fe5—C12E—C11E | −165.1 (6) | Na3i—O12C—Na8—Na10 | 165.22 (12) |
C14E—Fe5—C12E—C11E | −81.4 (4) | Na9—O12C—Na8—Na10 | 42.81 (14) |
C22E—Fe5—C12E—C11E | 117.0 (4) | C1C—O12C—Na8—Na9 | −120.5 (4) |
C11E—C12E—C13E—C14E | 1.0 (8) | Na3i—O12C—Na8—Na9 | 122.41 (19) |
Fe5—C12E—C13E—C14E | −59.5 (5) | C1C—O12C—Na8—Na7 | 40.4 (4) |
C11E—C12E—C13E—Fe5 | 60.5 (5) | Na3i—O12C—Na8—Na7 | −76.76 (12) |
C25E—Fe5—C13E—C12E | −165.0 (6) | Na9—O12C—Na8—Na7 | 160.83 (14) |
C15E—Fe5—C13E—C12E | −82.2 (5) | O11C—C1C—Na8—O21D | −43.1 (4) |
C23E—Fe5—C13E—C12E | 117.6 (5) | O12C—C1C—Na8—O21D | 146.8 (4) |
C21E—Fe5—C13E—C12E | 41.5 (11) | O11C—C1C—Na8—O21Ai | 143.6 (4) |
C24E—Fe5—C13E—C12E | 160.0 (5) | O12C—C1C—Na8—O21Ai | −26.4 (4) |
C14E—Fe5—C13E—C12E | −119.4 (6) | O11C—C1C—Na8—O11D | 53.0 (4) |
C22E—Fe5—C13E—C12E | 75.6 (5) | O12C—C1C—Na8—O11D | −117.1 (4) |
C11E—Fe5—C13E—C12E | −38.4 (4) | O12C—C1C—Na8—O11C | −170.1 (7) |
C12E—Fe5—C13E—C14E | 119.4 (6) | O11C—C1C—Na8—O12E | −127.5 (4) |
C25E—Fe5—C13E—C14E | −45.6 (9) | O12C—C1C—Na8—O12E | 62.5 (4) |
C15E—Fe5—C13E—C14E | 37.2 (4) | O11C—C1C—Na8—O12C | 170.1 (7) |
C23E—Fe5—C13E—C14E | −123.0 (4) | O11C—C1C—Na8—C2Ai | 125.1 (4) |
C21E—Fe5—C13E—C14E | 160.9 (8) | O12C—C1C—Na8—C2Ai | −44.9 (4) |
C24E—Fe5—C13E—C14E | −80.6 (5) | O11C—C1C—Na8—Na3i | 123.7 (4) |
C22E—Fe5—C13E—C14E | −165.0 (4) | O12C—C1C—Na8—Na3i | −46.4 (3) |
C11E—Fe5—C13E—C14E | 81.1 (4) | O11C—C1C—Na8—Na10 | −86.4 (4) |
C12E—C13E—C14E—C15E | 0.1 (8) | O12C—C1C—Na8—Na10 | 103.5 (4) |
Fe5—C13E—C14E—C15E | −58.9 (5) | O11C—C1C—Na8—Na9 | −145.5 (4) |
C12E—C13E—C14E—Fe5 | 59.0 (5) | O12C—C1C—Na8—Na9 | 44.5 (3) |
C12E—Fe5—C14E—C15E | 82.2 (4) | O11C—C1C—Na8—Na7 | 36.0 (3) |
C25E—Fe5—C14E—C15E | −80.3 (5) | O12C—C1C—Na8—Na7 | −134.1 (4) |
C13E—Fe5—C14E—C15E | 119.6 (6) | O21Biv—Na7—Na8—O21D | 23.33 (16) |
C23E—Fe5—C14E—C15E | −164.1 (4) | O22Bi—Na7—Na8—O21D | 177.89 (15) |
C21E—Fe5—C14E—C15E | −46.5 (8) | O11C—Na7—Na8—O21D | 82.67 (19) |
C24E—Fe5—C14E—C15E | −123.0 (4) | O12D—Na7—Na8—O21D | −57.59 (16) |
C22E—Fe5—C14E—C15E | 163.9 (8) | O11Biv—Na7—Na8—O21D | −140.9 (4) |
C11E—Fe5—C14E—C15E | 37.4 (4) | O11D—Na7—Na8—O21D | −96.44 (18) |
C12E—Fe5—C14E—C13E | −37.5 (4) | C1D—Na7—Na8—O21D | −72.61 (19) |
C25E—Fe5—C14E—C13E | 160.1 (4) | C2Bi—Na7—Na8—O21D | 178.77 (17) |
C15E—Fe5—C14E—C13E | −119.6 (6) | Na5i—Na7—Na8—O21D | −134.82 (12) |
C23E—Fe5—C14E—C13E | 76.3 (5) | Na6—Na7—Na8—O21D | 33.98 (11) |
C21E—Fe5—C14E—C13E | −166.1 (5) | Na4iv—Na7—Na8—O21D | −74.05 (15) |
C24E—Fe5—C14E—C13E | 117.4 (4) | O21Biv—Na7—Na8—O21Ai | −174.03 (17) |
C22E—Fe5—C14E—C13E | 44.3 (11) | O22Bi—Na7—Na8—O21Ai | −19.47 (17) |
C11E—Fe5—C14E—C13E | −82.3 (4) | O11C—Na7—Na8—O21Ai | −114.7 (2) |
C13E—C14E—C15E—C11E | −1.2 (8) | O12D—Na7—Na8—O21Ai | 105.06 (17) |
Fe5—C14E—C15E—C11E | −59.9 (5) | O11Biv—Na7—Na8—O21Ai | 21.8 (4) |
C13E—C14E—C15E—Fe5 | 58.7 (5) | O11D—Na7—Na8—O21Ai | 66.20 (19) |
C12E—C11E—C15E—C14E | 1.8 (8) | C1D—Na7—Na8—O21Ai | 90.0 (2) |
C31E—C11E—C15E—C14E | −175.1 (6) | C2Bi—Na7—Na8—O21Ai | −18.59 (19) |
Fe5—C11E—C15E—C14E | 59.7 (5) | Na5i—Na7—Na8—O21Ai | 27.83 (13) |
C12E—C11E—C15E—Fe5 | −58.0 (5) | Na6—Na7—Na8—O21Ai | −163.38 (14) |
C31E—C11E—C15E—Fe5 | 125.1 (7) | Na4iv—Na7—Na8—O21Ai | 88.59 (17) |
C12E—Fe5—C15E—C14E | −81.3 (4) | O21Biv—Na7—Na8—O11D | 119.8 (2) |
C25E—Fe5—C15E—C14E | 117.1 (4) | O22Bi—Na7—Na8—O11D | −85.67 (18) |
C13E—Fe5—C15E—C14E | −37.7 (4) | O11C—Na7—Na8—O11D | 179.1 (2) |
C23E—Fe5—C15E—C14E | 43.7 (10) | O12D—Na7—Na8—O11D | 38.85 (18) |
C21E—Fe5—C15E—C14E | 159.5 (4) | O11Biv—Na7—Na8—O11D | −44.4 (4) |
C24E—Fe5—C15E—C14E | 75.4 (5) | C1D—Na7—Na8—O11D | 23.8 (2) |
C22E—Fe5—C15E—C14E | −167.9 (6) | C2Bi—Na7—Na8—O11D | −84.8 (2) |
C11E—Fe5—C15E—C14E | −120.1 (6) | Na5i—Na7—Na8—O11D | −38.38 (15) |
C12E—Fe5—C15E—C11E | 38.8 (4) | Na6—Na7—Na8—O11D | 130.42 (16) |
C25E—Fe5—C15E—C11E | −122.8 (4) | Na4iv—Na7—Na8—O11D | 22.39 (17) |
C13E—Fe5—C15E—C11E | 82.4 (4) | O21Biv—Na7—Na8—O11C | −59.34 (19) |
C23E—Fe5—C15E—C11E | 163.8 (7) | O22Bi—Na7—Na8—O11C | 95.23 (19) |
C21E—Fe5—C15E—C11E | −80.4 (4) | O12D—Na7—Na8—O11C | −140.3 (2) |
C24E—Fe5—C15E—C11E | −164.5 (4) | O11Biv—Na7—Na8—O11C | 136.5 (4) |
C14E—Fe5—C15E—C11E | 120.1 (6) | O11D—Na7—Na8—O11C | −179.1 (2) |
C22E—Fe5—C15E—C11E | −47.9 (8) | C1D—Na7—Na8—O11C | −155.3 (2) |
C12E—Fe5—C21E—C25E | −164.5 (4) | C2Bi—Na7—Na8—O11C | 96.1 (2) |
C13E—Fe5—C21E—C25E | 163.7 (8) | Na5i—Na7—Na8—O11C | 142.52 (17) |
C15E—Fe5—C21E—C25E | −80.2 (4) | Na6—Na7—Na8—O11C | −48.69 (15) |
C23E—Fe5—C21E—C25E | 81.4 (4) | Na4iv—Na7—Na8—O11C | −156.7 (2) |
C24E—Fe5—C21E—C25E | 37.9 (4) | O21Biv—Na7—Na8—O12E | −21.4 (5) |
C14E—Fe5—C21E—C25E | −47.2 (8) | O22Bi—Na7—Na8—O12E | 133.2 (4) |
C22E—Fe5—C21E—C25E | 119.2 (5) | O11C—Na7—Na8—O12E | 38.0 (4) |
C11E—Fe5—C21E—C25E | −122.5 (4) | O12D—Na7—Na8—O12E | −102.3 (4) |
C12E—Fe5—C21E—C22E | 76.3 (5) | O11Biv—Na7—Na8—O12E | 174.4 (4) |
C25E—Fe5—C21E—C22E | −119.2 (5) | O11D—Na7—Na8—O12E | −141.1 (5) |
C13E—Fe5—C21E—C22E | 44.5 (10) | C1D—Na7—Na8—O12E | −117.3 (4) |
C15E—Fe5—C21E—C22E | 160.6 (4) | C2Bi—Na7—Na8—O12E | 134.1 (4) |
C23E—Fe5—C21E—C22E | −37.8 (4) | Na6—Na7—Na8—O12E | −10.7 (4) |
C24E—Fe5—C21E—C22E | −81.3 (4) | Na4iv—Na7—Na8—O12E | −118.8 (4) |
C14E—Fe5—C21E—C22E | −166.4 (6) | O21Biv—Na7—Na8—O12C | −99.50 (17) |
C11E—Fe5—C21E—C22E | 118.3 (4) | O22Bi—Na7—Na8—O12C | 55.06 (15) |
C12E—Fe5—C21E—C41E | −44.3 (8) | O11C—Na7—Na8—O12C | −40.17 (18) |
C25E—Fe5—C21E—C41E | 120.2 (8) | O12D—Na7—Na8—O12C | 179.58 (17) |
C13E—Fe5—C21E—C41E | −76.1 (12) | O11Biv—Na7—Na8—O12C | 96.3 (4) |
C15E—Fe5—C21E—C41E | 40.0 (7) | O11D—Na7—Na8—O12C | 140.73 (19) |
C23E—Fe5—C21E—C41E | −158.4 (7) | C1D—Na7—Na8—O12C | 164.6 (2) |
C24E—Fe5—C21E—C41E | 158.0 (7) | C2Bi—Na7—Na8—O12C | 55.93 (17) |
C14E—Fe5—C21E—C41E | 73.0 (9) | Na5i—Na7—Na8—O12C | 102.35 (12) |
C22E—Fe5—C21E—C41E | −120.6 (8) | Na6—Na7—Na8—O12C | −88.85 (12) |
C11E—Fe5—C21E—C41E | −2.3 (7) | Na4iv—Na7—Na8—O12C | 163.11 (15) |
C25E—C21E—C22E—C23E | −0.4 (8) | O21Biv—Na7—Na8—C1C | −81.0 (2) |
C41E—C21E—C22E—C23E | −177.7 (6) | O22Bi—Na7—Na8—C1C | 73.6 (2) |
Fe5—C21E—C22E—C23E | 58.3 (5) | O11C—Na7—Na8—C1C | −21.6 (2) |
C25E—C21E—C22E—Fe5 | −58.7 (5) | O12D—Na7—Na8—C1C | −161.9 (2) |
C41E—C21E—C22E—Fe5 | 124.0 (7) | O11Biv—Na7—Na8—C1C | 114.8 (4) |
C12E—Fe5—C22E—C21E | −123.3 (4) | O11D—Na7—Na8—C1C | 159.3 (2) |
C25E—Fe5—C22E—C21E | 37.9 (3) | C1D—Na7—Na8—C1C | −176.9 (2) |
C13E—Fe5—C22E—C21E | −164.8 (4) | C2Bi—Na7—Na8—C1C | 74.5 (2) |
C15E—Fe5—C22E—C21E | −45.2 (8) | Na5i—Na7—Na8—C1C | 120.90 (18) |
C23E—Fe5—C22E—C21E | 119.7 (5) | Na6—Na7—Na8—C1C | −70.30 (17) |
C24E—Fe5—C22E—C21E | 82.1 (4) | Na4iv—Na7—Na8—C1C | −178.3 (2) |
C14E—Fe5—C22E—C21E | 161.2 (8) | O21Biv—Na7—Na8—C2Ai | 167.02 (17) |
C11E—Fe5—C22E—C21E | −79.7 (4) | O22Bi—Na7—Na8—C2Ai | −38.42 (16) |
C12E—Fe5—C22E—C23E | 117.0 (4) | O11C—Na7—Na8—C2Ai | −133.6 (2) |
C25E—Fe5—C22E—C23E | −81.7 (4) | O12D—Na7—Na8—C2Ai | 86.10 (17) |
C13E—Fe5—C22E—C23E | 75.6 (5) | O11Biv—Na7—Na8—C2Ai | 2.8 (4) |
C15E—Fe5—C22E—C23E | −164.9 (6) | O11D—Na7—Na8—C2Ai | 47.25 (18) |
C21E—Fe5—C22E—C23E | −119.7 (5) | C1D—Na7—Na8—C2Ai | 71.1 (2) |
C24E—Fe5—C22E—C23E | −37.5 (3) | C2Bi—Na7—Na8—C2Ai | −37.55 (18) |
C14E—Fe5—C22E—C23E | 41.5 (10) | Na5i—Na7—Na8—C2Ai | 8.87 (13) |
C11E—Fe5—C22E—C23E | 160.7 (4) | Na6—Na7—Na8—C2Ai | 177.67 (14) |
C21E—C22E—C23E—C24E | 1.2 (8) | Na4iv—Na7—Na8—C2Ai | 69.63 (17) |
Fe5—C22E—C23E—C24E | 59.7 (5) | O21Biv—Na7—Na8—Na3i | −144.88 (13) |
C21E—C22E—C23E—Fe5 | −58.5 (5) | O22Bi—Na7—Na8—Na3i | 9.68 (11) |
C12E—Fe5—C23E—C24E | 159.0 (4) | O11C—Na7—Na8—Na3i | −85.54 (16) |
C25E—Fe5—C23E—C24E | −37.8 (4) | O12D—Na7—Na8—Na3i | 134.20 (13) |
C13E—Fe5—C23E—C24E | 116.7 (4) | O11Biv—Na7—Na8—Na3i | 50.9 (4) |
C15E—Fe5—C23E—C24E | 42.1 (10) | O11D—Na7—Na8—Na3i | 95.35 (16) |
C21E—Fe5—C23E—C24E | −81.8 (4) | C1D—Na7—Na8—Na3i | 119.17 (17) |
C14E—Fe5—C23E—C24E | 74.9 (5) | C2Bi—Na7—Na8—Na3i | 10.55 (14) |
C22E—Fe5—C23E—C24E | −119.2 (5) | Na5i—Na7—Na8—Na3i | 56.97 (7) |
C11E—Fe5—C23E—C24E | −165.8 (6) | Na6—Na7—Na8—Na3i | −134.23 (8) |
C12E—Fe5—C23E—C22E | −81.8 (4) | Na4iv—Na7—Na8—Na3i | 117.74 (12) |
C25E—Fe5—C23E—C22E | 81.4 (4) | O21Biv—Na7—Na8—Na10 | −7.09 (16) |
C13E—Fe5—C23E—C22E | −124.1 (4) | O22Bi—Na7—Na8—Na10 | 147.48 (13) |
C15E—Fe5—C23E—C22E | 161.3 (8) | O11C—Na7—Na8—Na10 | 52.25 (17) |
C21E—Fe5—C23E—C22E | 37.4 (3) | O12D—Na7—Na8—Na10 | −88.00 (14) |
C24E—Fe5—C23E—C22E | 119.2 (5) | O11Biv—Na7—Na8—Na10 | −171.3 (3) |
C14E—Fe5—C23E—C22E | −165.9 (4) | O11D—Na7—Na8—Na10 | −126.85 (17) |
C11E—Fe5—C23E—C22E | −46.6 (8) | C1D—Na7—Na8—Na10 | −103.03 (18) |
C22E—C23E—C24E—C25E | −1.6 (8) | C2Bi—Na7—Na8—Na10 | 148.35 (15) |
Fe5—C23E—C24E—C25E | 58.2 (4) | Na5i—Na7—Na8—Na10 | −165.23 (9) |
C22E—C23E—C24E—Fe5 | −59.8 (5) | Na6—Na7—Na8—Na10 | 3.56 (9) |
C12E—Fe5—C24E—C23E | −48.6 (9) | Na4iv—Na7—Na8—Na10 | −104.47 (12) |
C25E—Fe5—C24E—C23E | 119.6 (6) | O21Biv—Na7—Na8—Na9 | −82.53 (17) |
C13E—Fe5—C24E—C23E | −81.5 (5) | O22Bi—Na7—Na8—Na9 | 72.03 (15) |
C15E—Fe5—C24E—C23E | −164.7 (4) | O11C—Na7—Na8—Na9 | −23.19 (18) |
C21E—Fe5—C24E—C23E | 81.8 (4) | O12D—Na7—Na8—Na9 | −163.44 (15) |
C14E—Fe5—C24E—C23E | −123.8 (4) | O11Biv—Na7—Na8—Na9 | 113.3 (4) |
C22E—Fe5—C24E—C23E | 38.0 (4) | O11D—Na7—Na8—Na9 | 157.7 (2) |
C11E—Fe5—C24E—C23E | 163.0 (7) | C1D—Na7—Na8—Na9 | −178.5 (2) |
C12E—Fe5—C24E—C25E | −168.3 (7) | C2Bi—Na7—Na8—Na9 | 72.91 (17) |
C13E—Fe5—C24E—C25E | 158.9 (4) | Na5i—Na7—Na8—Na9 | 119.33 (12) |
C15E—Fe5—C24E—C25E | 75.7 (5) | Na6—Na7—Na8—Na9 | −71.88 (12) |
C23E—Fe5—C24E—C25E | −119.6 (6) | Na4iv—Na7—Na8—Na9 | −179.91 (11) |
C21E—Fe5—C24E—C25E | −37.8 (4) | C2C—O22C—Na9—O22Ei | 30.2 (16) |
C14E—Fe5—C24E—C25E | 116.6 (4) | Na10—O22C—Na9—O22Ei | 176.2 (3) |
C22E—Fe5—C24E—C25E | −81.6 (4) | C2C—O22C—Na9—O2W | 117.6 (14) |
C11E—Fe5—C24E—C25E | 43.3 (10) | Na10—O22C—Na9—O2W | −96.4 (2) |
C22E—C21E—C25E—C24E | −0.6 (8) | C2C—O22C—Na9—O12C | −44.8 (14) |
C41E—C21E—C25E—C24E | 176.7 (6) | Na10—O22C—Na9—O12C | 101.22 (17) |
Fe5—C21E—C25E—C24E | −60.1 (4) | C2C—O22C—Na9—O12E | −142.0 (14) |
C22E—C21E—C25E—Fe5 | 59.5 (5) | Na10—O22C—Na9—O12E | 3.98 (17) |
C41E—C21E—C25E—Fe5 | −123.2 (7) | C2C—O22C—Na9—O11E | −167.7 (14) |
C23E—C24E—C25E—C21E | 1.3 (8) | Na10—O22C—Na9—O11E | −21.7 (3) |
Fe5—C24E—C25E—C21E | 60.0 (5) | C2C—O22C—Na9—C1E | −157.0 (14) |
C23E—C24E—C25E—Fe5 | −58.7 (5) | Na10—O22C—Na9—C1E | −11.0 (2) |
C12E—Fe5—C25E—C21E | 45.1 (11) | C2C—O22C—Na9—Na1i | −100.6 (14) |
C13E—Fe5—C25E—C21E | −168.0 (7) | Na10—O22C—Na9—Na1i | 45.4 (4) |
C15E—Fe5—C25E—C21E | 117.7 (4) | C2C—O22C—Na9—Na8 | −93.6 (14) |
C23E—Fe5—C25E—C21E | −81.9 (4) | Na10—O22C—Na9—Na8 | 52.44 (14) |
C24E—Fe5—C25E—C21E | −119.3 (6) | C2C—O22C—Na9—Na10 | −146.0 (15) |
C14E—Fe5—C25E—C21E | 159.4 (4) | C2C—O22C—Na9—Na3i | −53.8 (15) |
C22E—Fe5—C25E—C21E | −37.7 (4) | Na10—O22C—Na9—Na3i | 92.17 (15) |
C11E—Fe5—C25E—C21E | 76.4 (5) | C1C—O12C—Na9—O22C | 7.0 (5) |
C12E—Fe5—C25E—C24E | 164.3 (9) | Na3i—O12C—Na9—O22C | −162.2 (2) |
C13E—Fe5—C25E—C24E | −48.7 (9) | Na8—O12C—Na9—O22C | −81.67 (16) |
C15E—Fe5—C25E—C24E | −123.0 (4) | C1C—O12C—Na9—O22Ei | −144.8 (5) |
C23E—Fe5—C25E—C24E | 37.3 (4) | Na3i—O12C—Na9—O22Ei | 46.0 (2) |
C21E—Fe5—C25E—C24E | 119.3 (6) | Na8—O12C—Na9—O22Ei | 126.49 (16) |
C14E—Fe5—C25E—C24E | −81.4 (5) | C1C—O12C—Na9—O2W | −47.2 (8) |
C22E—Fe5—C25E—C24E | 81.6 (4) | Na3i—O12C—Na9—O2W | 143.7 (5) |
C11E—Fe5—C25E—C24E | −164.4 (4) | Na8—O12C—Na9—O2W | −135.9 (5) |
C15E—C11E—C31E—C36E | −168.4 (7) | C1C—O12C—Na9—O12E | 89.8 (5) |
C12E—C11E—C31E—C36E | 15.3 (10) | Na3i—O12C—Na9—O12E | −79.4 (2) |
Fe5—C11E—C31E—C36E | −74.6 (8) | Na8—O12C—Na9—O12E | 1.10 (17) |
C15E—C11E—C31E—C32E | 14.5 (10) | C1C—O12C—Na9—O11E | 139.3 (5) |
C12E—C11E—C31E—C32E | −161.9 (7) | Na3i—O12C—Na9—O11E | −29.9 (3) |
Fe5—C11E—C31E—C32E | 108.3 (8) | Na8—O12C—Na9—O11E | 50.6 (2) |
C36E—C31E—C32E—C33E | −3.5 (10) | C1C—O12C—Na9—C1E | 111.0 (5) |
C11E—C31E—C32E—C33E | 173.8 (6) | Na3i—O12C—Na9—C1E | −58.2 (3) |
C31E—C32E—C33E—C34E | −0.9 (10) | Na8—O12C—Na9—C1E | 22.3 (2) |
C32E—C33E—C34E—C35E | 4.6 (10) | C1C—O12C—Na9—Na1i | 167.1 (5) |
C32E—C33E—C34E—C1E | −172.9 (6) | Na3i—O12C—Na9—Na1i | −2.05 (19) |
O11E—C1E—C34E—C35E | 169.3 (6) | Na8—O12C—Na9—Na1i | 78.44 (12) |
O12E—C1E—C34E—C35E | −11.6 (9) | C1C—O12C—Na9—Na8 | 88.7 (5) |
Na9—C1E—C34E—C35E | 71 (2) | Na3i—O12C—Na9—Na8 | −80.49 (19) |
O11E—C1E—C34E—C33E | −13.4 (9) | C1C—O12C—Na9—Na10 | 48.3 (5) |
O12E—C1E—C34E—C33E | 165.8 (6) | Na3i—O12C—Na9—Na10 | −120.89 (19) |
Na9—C1E—C34E—C33E | −111 (2) | Na8—O12C—Na9—Na10 | −40.40 (13) |
C33E—C34E—C35E—C36E | −4.0 (10) | C1C—O12C—Na9—Na3i | 169.2 (6) |
C1E—C34E—C35E—C36E | 173.5 (6) | Na8—O12C—Na9—Na3i | 80.49 (19) |
C34E—C35E—C36E—C31E | −0.5 (10) | C1E—O12E—Na9—O22C | −145.4 (4) |
C32E—C31E—C36E—C35E | 4.2 (10) | Na10—O12E—Na9—O22C | −4.04 (17) |
C11E—C31E—C36E—C35E | −173.1 (6) | Na8—O12E—Na9—O22C | 83.03 (17) |
C25E—C21E—C41E—C46E | −162.7 (7) | C1E—O12E—Na9—O22Ei | 39.3 (5) |
C22E—C21E—C41E—C46E | 14.2 (10) | Na10—O12E—Na9—O22Ei | −179.39 (18) |
Fe5—C21E—C41E—C46E | 106.6 (7) | Na8—O12E—Na9—O22Ei | −92.3 (2) |
C25E—C21E—C41E—C42E | 13.2 (10) | C1E—O12E—Na9—O2W | −64.3 (4) |
C22E—C21E—C41E—C42E | −169.9 (7) | Na10—O12E—Na9—O2W | 77.0 (2) |
Fe5—C21E—C41E—C42E | −77.5 (8) | Na8—O12E—Na9—O2W | 164.1 (2) |
C46E—C41E—C42E—C43E | 2.3 (10) | C1E—O12E—Na9—O12C | 130.5 (4) |
C21E—C41E—C42E—C43E | −173.9 (6) | Na10—O12E—Na9—O12C | −88.18 (17) |
C41E—C42E—C43E—C44E | 1.0 (10) | Na8—O12E—Na9—O12C | −1.11 (17) |
C42E—C43E—C44E—C45E | −3.8 (10) | C1E—O12E—Na9—O11E | 9.3 (4) |
C42E—C43E—C44E—C2E | 172.4 (6) | Na10—O12E—Na9—O11E | 150.6 (2) |
O21E—C2E—C44E—C43E | −12.9 (9) | Na8—O12E—Na9—O11E | −122.4 (2) |
O22E—C2E—C44E—C43E | 168.3 (6) | Na10—O12E—Na9—C1E | 141.3 (5) |
Na1—C2E—C44E—C43E | 137 (2) | Na8—O12E—Na9—C1E | −131.6 (4) |
O21E—C2E—C44E—C45E | 163.3 (6) | C1E—O12E—Na9—Na1i | 50.6 (4) |
O22E—C2E—C44E—C45E | −15.6 (9) | Na10—O12E—Na9—Na1i | −168.09 (15) |
Na1—C2E—C44E—C45E | −47 (3) | Na8—O12E—Na9—Na1i | −81.02 (12) |
C43E—C44E—C45E—C46E | 3.5 (10) | C1E—O12E—Na9—Na8 | 131.6 (4) |
C2E—C44E—C45E—C46E | −172.7 (5) | Na10—O12E—Na9—Na8 | −87.07 (16) |
C42E—C41E—C46E—C45E | −2.6 (10) | C1E—O12E—Na9—Na10 | −141.3 (5) |
C21E—C41E—C46E—C45E | 173.4 (6) | Na8—O12E—Na9—Na10 | 87.07 (16) |
C44E—C45E—C46E—C41E | −0.2 (10) | C1E—O12E—Na9—Na3i | 102.6 (4) |
C1A—O11A—Na1—O11Eii | 67.2 (9) | Na10—O12E—Na9—Na3i | −116.09 (13) |
Na2—O11A—Na1—O11Eii | −169.8 (2) | Na8—O12E—Na9—Na3i | −29.02 (12) |
C1A—O11A—Na1—O21A | −37.6 (8) | C1E—O11E—Na9—O22C | 24.0 (5) |
Na2—O11A—Na1—O21A | 85.46 (17) | Na1i—O11E—Na9—O22C | 148.4 (2) |
C1A—O11A—Na1—O22E | −165.0 (8) | C1E—O11E—Na9—O22Ei | −164.7 (4) |
Na2—O11A—Na1—O22E | −42.0 (3) | Na1i—O11E—Na9—O22Ei | −40.40 (15) |
C1A—O11A—Na1—O21E | −128.4 (8) | C1E—O11E—Na9—O2W | 98.3 (4) |
Na2—O11A—Na1—O21E | −5.29 (16) | Na1i—O11E—Na9—O2W | −137.33 (19) |
C1A—O11A—Na1—C2E | −146.3 (8) | C1E—O11E—Na9—O12C | −84.1 (4) |
Na2—O11A—Na1—C2E | −23.2 (2) | Na1i—O11E—Na9—O12C | 40.3 (2) |
C1A—O11A—Na1—Na9ii | −120.6 (9) | C1E—O11E—Na9—O12E | −9.3 (4) |
Na2—O11A—Na1—Na9ii | 2.4 (8) | Na1i—O11E—Na9—O12E | 115.06 (19) |
C1A—O11A—Na1—Na3 | −81.2 (8) | Na1i—O11E—Na9—C1E | 124.3 (4) |
Na2—O11A—Na1—Na3 | 41.89 (14) | C1E—O11E—Na9—Na1i | −124.3 (4) |
C1A—O11A—Na1—Na2 | −123.1 (9) | C1E—O11E—Na9—Na8 | −48.4 (4) |
C1A—O11A—Na1—Na8ii | −39.0 (9) | Na1i—O11E—Na9—Na8 | 75.90 (12) |
Na2—O11A—Na1—Na8ii | 84.10 (17) | C1E—O11E—Na9—Na10 | 9.7 (4) |
C2A—O21A—Na1—O11A | 19.2 (5) | Na1i—O11E—Na9—Na10 | 134.03 (13) |
Na8ii—O21A—Na1—O11A | −177.8 (2) | C1E—O11E—Na9—Na3i | −97.8 (4) |
Na3—O21A—Na1—O11A | −86.48 (18) | Na1i—O11E—Na9—Na3i | 26.52 (12) |
C2A—O21A—Na1—O11Eii | −120.5 (5) | O11E—C1E—Na9—O22C | −160.9 (4) |
Na8ii—O21A—Na1—O11Eii | 42.5 (2) | O12E—C1E—Na9—O22C | 35.8 (4) |
Na3—O21A—Na1—O11Eii | 133.80 (18) | C34E—C1E—Na9—O22C | −56 (2) |
C2A—O21A—Na1—O22E | 151.4 (5) | O11E—C1E—Na9—O22Ei | 15.5 (4) |
Na8ii—O21A—Na1—O22E | −45.6 (3) | O12E—C1E—Na9—O22Ei | −147.9 (4) |
Na3—O21A—Na1—O22E | 45.7 (2) | C34E—C1E—Na9—O22Ei | 121 (2) |
C2A—O21A—Na1—O21E | 105.0 (5) | O11E—C1E—Na9—O2W | −79.6 (4) |
Na8ii—O21A—Na1—O21E | −92.0 (2) | O12E—C1E—Na9—O2W | 117.1 (4) |
Na3—O21A—Na1—O21E | −0.75 (18) | C34E—C1E—Na9—O2W | 26 (2) |
C2A—O21A—Na1—C2E | 125.7 (5) | O11E—C1E—Na9—O12C | 108.3 (4) |
Na8ii—O21A—Na1—C2E | −71.3 (3) | O12E—C1E—Na9—O12C | −55.0 (4) |
Na3—O21A—Na1—C2E | 20.0 (2) | C34E—C1E—Na9—O12C | −146.3 (19) |
C2A—O21A—Na1—Na9ii | −173.9 (5) | O11E—C1E—Na9—O12E | 163.3 (7) |
Na8ii—O21A—Na1—Na9ii | −10.92 (18) | C34E—C1E—Na9—O12E | −91 (2) |
Na3—O21A—Na1—Na9ii | 80.35 (14) | O12E—C1E—Na9—O11E | −163.3 (7) |
C2A—O21A—Na1—Na3 | 105.7 (5) | C34E—C1E—Na9—O11E | 105 (2) |
Na8ii—O21A—Na1—Na3 | −91.3 (2) | O11E—C1E—Na9—Na1i | 41.4 (3) |
C2A—O21A—Na1—Na2 | 63.2 (5) | O12E—C1E—Na9—Na1i | −121.9 (4) |
Na8ii—O21A—Na1—Na2 | −133.77 (18) | C34E—C1E—Na9—Na1i | 147 (2) |
Na3—O21A—Na1—Na2 | −42.49 (14) | O11E—C1E—Na9—Na8 | 126.3 (4) |
C2A—O21A—Na1—Na8ii | −163.0 (6) | O12E—C1E—Na9—Na8 | −37.0 (3) |
Na3—O21A—Na1—Na8ii | 91.3 (2) | C34E—C1E—Na9—Na8 | −128 (2) |
C2E—O22E—Na1—O11A | 45.3 (5) | O11E—C1E—Na9—Na10 | −169.2 (4) |
Na9ii—O22E—Na1—O11A | 167.3 (2) | O12E—C1E—Na9—Na10 | 27.5 (3) |
C2E—O22E—Na1—O11Eii | −166.5 (4) | C34E—C1E—Na9—Na10 | −64 (2) |
Na9ii—O22E—Na1—O11Eii | −44.43 (17) | O11E—C1E—Na9—Na3i | 84.3 (4) |
C2E—O22E—Na1—O21A | −71.2 (4) | O12E—C1E—Na9—Na3i | −79.0 (4) |
Na9ii—O22E—Na1—O21A | 50.9 (2) | C34E—C1E—Na9—Na3i | −170 (2) |
C2E—O22E—Na1—O21E | −4.0 (4) | O21D—Na8—Na9—O22C | −27.35 (17) |
Na9ii—O22E—Na1—O21E | 118.1 (2) | O21Ai—Na8—Na9—O22C | 176.09 (17) |
Na9ii—O22E—Na1—C2E | 122.1 (4) | O11D—Na8—Na9—O22C | 139.3 (4) |
C2E—O22E—Na1—Na9ii | −122.1 (4) | O11C—Na8—Na9—O22C | 52.08 (16) |
C2E—O22E—Na1—Na3 | −41.4 (4) | O12E—Na8—Na9—O22C | −89.74 (19) |
Na9ii—O22E—Na1—Na3 | 80.64 (13) | O12C—Na8—Na9—O22C | 91.73 (19) |
C2E—O22E—Na1—Na2 | 17.5 (4) | C1C—Na8—Na9—O22C | 66.5 (2) |
Na9ii—O22E—Na1—Na2 | 139.56 (13) | C2Ai—Na8—Na9—O22C | 178.26 (17) |
C2E—O22E—Na1—Na8ii | −92.4 (4) | Na3i—Na8—Na9—O22C | 129.45 (13) |
Na9ii—O22E—Na1—Na8ii | 29.65 (13) | Na10—Na8—Na9—O22C | −38.74 (12) |
C2E—O21E—Na1—O11A | −137.1 (4) | Na7—Na8—Na9—O22C | 68.05 (16) |
Na2—O21E—Na1—O11A | 5.54 (16) | O21D—Na8—Na9—O22Ei | 179.10 (17) |
Na3—O21E—Na1—O11A | 94.27 (17) | O21Ai—Na8—Na9—O22Ei | 22.54 (18) |
C2E—O21E—Na1—O11Eii | 28.6 (5) | O11D—Na8—Na9—O22Ei | −14.3 (5) |
Na2—O21E—Na1—O11Eii | 171.2 (2) | O11C—Na8—Na9—O22Ei | −101.47 (18) |
Na3—O21E—Na1—O11Eii | −100.0 (2) | O12E—Na8—Na9—O22Ei | 116.7 (2) |
C2E—O21E—Na1—O21A | 129.3 (4) | O12C—Na8—Na9—O22Ei | −61.8 (2) |
Na2—O21E—Na1—O21A | −88.03 (17) | C1C—Na8—Na9—O22Ei | −87.1 (2) |
Na3—O21E—Na1—O21A | 0.70 (17) | C2Ai—Na8—Na9—O22Ei | 24.71 (19) |
C2E—O21E—Na1—O22E | 4.0 (4) | Na3i—Na8—Na9—O22Ei | −24.10 (15) |
Na2—O21E—Na1—O22E | 146.7 (2) | Na10—Na8—Na9—O22Ei | 167.71 (16) |
Na3—O21E—Na1—O22E | −124.6 (2) | Na7—Na8—Na9—O22Ei | −85.50 (18) |
Na2—O21E—Na1—C2E | 142.6 (4) | O21D—Na8—Na9—O2W | 34.6 (4) |
Na3—O21E—Na1—C2E | −128.6 (4) | O21Ai—Na8—Na9—O2W | −121.9 (3) |
C2E—O21E—Na1—Na9ii | 44.7 (4) | O11D—Na8—Na9—O2W | −158.7 (5) |
Na2—O21E—Na1—Na9ii | −172.68 (14) | O11C—Na8—Na9—O2W | 114.0 (3) |
Na3—O21E—Na1—Na9ii | −83.95 (12) | O12E—Na8—Na9—O2W | −27.8 (3) |
C2E—O21E—Na1—Na3 | 128.6 (4) | O12C—Na8—Na9—O2W | 153.7 (4) |
Na2—O21E—Na1—Na3 | −88.73 (15) | C1C—Na8—Na9—O2W | 128.4 (4) |
C2E—O21E—Na1—Na2 | −142.6 (4) | C2Ai—Na8—Na9—O2W | −119.8 (3) |
Na3—O21E—Na1—Na2 | 88.73 (15) | Na3i—Na8—Na9—O2W | −168.6 (3) |
C2E—O21E—Na1—Na8ii | 99.0 (4) | Na10—Na8—Na9—O2W | 23.2 (3) |
Na2—O21E—Na1—Na8ii | −118.37 (12) | Na7—Na8—Na9—O2W | 130.0 (3) |
Na3—O21E—Na1—Na8ii | −29.64 (12) | O21D—Na8—Na9—O12C | −119.1 (2) |
O21E—C2E—Na1—O11A | 44.5 (4) | O21Ai—Na8—Na9—O12C | 84.36 (19) |
O22E—C2E—Na1—O11A | −142.7 (4) | O11D—Na8—Na9—O12C | 47.6 (4) |
C44E—C2E—Na1—O11A | −108 (3) | O11C—Na8—Na9—O12C | −39.65 (18) |
O21E—C2E—Na1—O11Eii | −158.4 (4) | O12E—Na8—Na9—O12C | 178.5 (2) |
O22E—C2E—Na1—O11Eii | 14.3 (4) | C1C—Na8—Na9—O12C | −25.3 (2) |
C44E—C2E—Na1—O11Eii | 49 (3) | C2Ai—Na8—Na9—O12C | 86.5 (2) |
O21E—C2E—Na1—O21A | −54.0 (4) | Na3i—Na8—Na9—O12C | 37.72 (15) |
O22E—C2E—Na1—O21A | 118.8 (4) | Na10—Na8—Na9—O12C | −130.47 (17) |
C44E—C2E—Na1—O21A | 154 (2) | Na7—Na8—Na9—O12C | −23.68 (18) |
O21E—C2E—Na1—O22E | −172.8 (7) | O21D—Na8—Na9—O12E | 62.39 (19) |
C44E—C2E—Na1—O22E | 35 (2) | O21Ai—Na8—Na9—O12E | −94.17 (18) |
O22E—C2E—Na1—O21E | 172.8 (7) | O11D—Na8—Na9—O12E | −131.0 (5) |
C44E—C2E—Na1—O21E | −152 (3) | O11C—Na8—Na9—O12E | 141.82 (19) |
O21E—C2E—Na1—Na9ii | −129.1 (4) | O12C—Na8—Na9—O12E | −178.5 (2) |
O22E—C2E—Na1—Na9ii | 43.7 (3) | C1C—Na8—Na9—O12E | 156.2 (2) |
C44E—C2E—Na1—Na9ii | 79 (3) | C2Ai—Na8—Na9—O12E | −92.0 (2) |
O21E—C2E—Na1—Na3 | −39.0 (3) | Na3i—Na8—Na9—O12E | −140.81 (17) |
O22E—C2E—Na1—Na3 | 133.8 (4) | Na10—Na8—Na9—O12E | 51.00 (15) |
C44E—C2E—Na1—Na3 | 169 (3) | Na7—Na8—Na9—O12E | 157.79 (19) |
O21E—C2E—Na1—Na2 | 26.7 (3) | O21D—Na8—Na9—O11E | 104.06 (17) |
O22E—C2E—Na1—Na2 | −160.5 (4) | O21Ai—Na8—Na9—O11E | −52.50 (16) |
C44E—C2E—Na1—Na2 | −126 (3) | O11D—Na8—Na9—O11E | −89.3 (4) |
O21E—C2E—Na1—Na8ii | −82.7 (4) | O11C—Na8—Na9—O11E | −176.51 (16) |
O22E—C2E—Na1—Na8ii | 90.1 (4) | O12E—Na8—Na9—O11E | 41.67 (17) |
C44E—C2E—Na1—Na8ii | 125 (3) | O12C—Na8—Na9—O11E | −136.9 (2) |
C2E—O21E—Na2—O21Ci | −99.3 (7) | C1C—Na8—Na9—O11E | −162.1 (2) |
Na3—O21E—Na2—O21Ci | 98.9 (3) | C2Ai—Na8—Na9—O11E | −50.33 (17) |
Na1—O21E—Na2—O21Ci | −179.0 (3) | Na3i—Na8—Na9—O11E | −99.14 (13) |
C2E—O21E—Na2—O1W | −10.6 (7) | Na10—Na8—Na9—O11E | 92.67 (13) |
Na3—O21E—Na2—O1W | −172.47 (18) | Na7—Na8—Na9—O11E | −160.54 (15) |
Na1—O21E—Na2—O1W | −90.40 (18) | O21D—Na8—Na9—C1E | 83.2 (2) |
C2E—O21E—Na2—O12B | −170.2 (7) | O21Ai—Na8—Na9—C1E | −73.3 (2) |
Na3—O21E—Na2—O12B | 27.93 (14) | O11D—Na8—Na9—C1E | −110.1 (5) |
Na1—O21E—Na2—O12B | 109.99 (15) | O11C—Na8—Na9—C1E | 162.7 (2) |
C2E—O21E—Na2—O11A | 74.8 (7) | O12E—Na8—Na9—C1E | 20.8 (2) |
Na3—O21E—Na2—O11A | −87.10 (15) | O12C—Na8—Na9—C1E | −157.7 (2) |
Na1—O21E—Na2—O11A | −5.04 (15) | C1C—Na8—Na9—C1E | 177.0 (2) |
C2E—O21E—Na2—O12A | 99.2 (7) | C2Ai—Na8—Na9—C1E | −71.2 (2) |
Na3—O21E—Na2—O12A | −62.7 (2) | Na3i—Na8—Na9—C1E | −119.97 (18) |
Na1—O21E—Na2—O12A | 19.4 (3) | Na10—Na8—Na9—C1E | 71.84 (18) |
C2E—O21E—Na2—C1A | 84.7 (7) | Na7—Na8—Na9—C1E | 178.6 (2) |
Na3—O21E—Na2—C1A | −77.2 (2) | O21D—Na8—Na9—Na1i | 149.72 (13) |
Na1—O21E—Na2—C1A | 4.9 (2) | O21Ai—Na8—Na9—Na1i | −6.85 (12) |
C2E—O21E—Na2—Na3 | 161.9 (7) | O11D—Na8—Na9—Na1i | −43.6 (4) |
Na1—O21E—Na2—Na3 | 82.06 (13) | O11C—Na8—Na9—Na1i | −130.85 (13) |
C2E—O21E—Na2—Na1 | 79.8 (7) | O12E—Na8—Na9—Na1i | 87.33 (16) |
Na3—O21E—Na2—Na1 | −82.06 (13) | O12C—Na8—Na9—Na1i | −91.21 (16) |
C2E—O21E—Na2—Na10i | 35.4 (10) | C1C—Na8—Na9—Na1i | −116.47 (18) |
Na3—O21E—Na2—Na10i | −126.4 (5) | C2Ai—Na8—Na9—Na1i | −4.68 (14) |
Na1—O21E—Na2—Na10i | −44.4 (6) | Na3i—Na8—Na9—Na1i | −53.48 (7) |
C2E—O21E—Na2—Na4 | 159.0 (6) | Na10—Na8—Na9—Na1i | 138.32 (8) |
Na3—O21E—Na2—Na4 | −2.83 (15) | Na7—Na8—Na9—Na1i | −114.88 (12) |
Na1—O21E—Na2—Na4 | 79.24 (13) | O21D—Na8—Na9—Na10 | 11.39 (12) |
C1B—O12B—Na2—O21E | 121.2 (5) | O21Ai—Na8—Na9—Na10 | −145.17 (13) |
Na3—O12B—Na2—O21E | −31.20 (15) | O11D—Na8—Na9—Na10 | 178.0 (4) |
Na4—O12B—Na2—O21E | −134.20 (17) | O11C—Na8—Na9—Na10 | 90.82 (12) |
C1B—O12B—Na2—O21Ci | −23.8 (5) | O12E—Na8—Na9—Na10 | −51.00 (15) |
Na3—O12B—Na2—O21Ci | −176.21 (16) | O12C—Na8—Na9—Na10 | 130.47 (17) |
Na4—O12B—Na2—O21Ci | 80.79 (17) | C1C—Na8—Na9—Na10 | 105.20 (18) |
C1B—O12B—Na2—O1W | 46.1 (8) | C2Ai—Na8—Na9—Na10 | −143.00 (14) |
Na3—O12B—Na2—O1W | −106.3 (6) | Na3i—Na8—Na9—Na10 | 168.19 (8) |
Na4—O12B—Na2—O1W | 150.7 (5) | Na7—Na8—Na9—Na10 | 106.79 (12) |
C1B—O12B—Na2—O11A | −152.7 (5) | O21D—Na8—Na9—Na3i | −156.80 (15) |
Na3—O12B—Na2—O11A | 55.0 (2) | O21Ai—Na8—Na9—Na3i | 46.64 (11) |
Na4—O12B—Na2—O11A | −48.0 (2) | O11D—Na8—Na9—Na3i | 9.8 (4) |
C1B—O12B—Na2—O12A | −105.4 (5) | O11C—Na8—Na9—Na3i | −77.37 (12) |
Na3—O12B—Na2—O12A | 102.25 (16) | O12E—Na8—Na9—Na3i | 140.81 (16) |
Na4—O12B—Na2—O12A | −0.75 (18) | O12C—Na8—Na9—Na3i | −37.72 (15) |
C1B—O12B—Na2—C1A | −127.6 (5) | C1C—Na8—Na9—Na3i | −62.99 (17) |
Na3—O12B—Na2—C1A | 80.1 (2) | C2Ai—Na8—Na9—Na3i | 48.80 (13) |
Na4—O12B—Na2—C1A | −22.9 (2) | Na10—Na8—Na9—Na3i | −168.19 (8) |
C1B—O12B—Na2—Na3 | 152.4 (5) | Na7—Na8—Na9—Na3i | −61.40 (11) |
Na4—O12B—Na2—Na3 | −103.00 (19) | C1E—O12E—Na10—O12Aii | −70.5 (7) |
C1B—O12B—Na2—Na1 | 168.4 (5) | Na9—O12E—Na10—O12Aii | −169.3 (3) |
Na3—O12B—Na2—Na1 | 16.06 (14) | Na8—O12E—Na10—O12Aii | 106.1 (3) |
Na4—O12B—Na2—Na1 | −86.94 (15) | C1E—O12E—Na10—O21D | −151.0 (7) |
C1B—O12B—Na2—Na10i | −65.2 (5) | Na9—O12E—Na10—O21D | 110.17 (15) |
Na3—O12B—Na2—Na10i | 142.39 (12) | Na8—O12E—Na10—O21D | 25.59 (14) |
Na4—O12B—Na2—Na10i | 39.40 (17) | C1E—O12E—Na10—O3W | 26.8 (7) |
C1B—O12B—Na2—Na4 | −104.6 (5) | Na9—O12E—Na10—O3W | −72.0 (2) |
Na3—O12B—Na2—Na4 | 103.00 (19) | Na8—O12E—Na10—O3W | −156.61 (19) |
C1A—O11A—Na2—O21E | 157.7 (4) | C1E—O12E—Na10—O22C | 102.5 (7) |
Na1—O11A—Na2—O21E | 6.09 (18) | Na9—O12E—Na10—O22C | 3.69 (15) |
C1A—O11A—Na2—O21Ci | −26.8 (5) | Na8—O12E—Na10—O22C | −80.89 (15) |
Na1—O11A—Na2—O21Ci | −178.46 (18) | C1E—O12E—Na10—O21C | 126.8 (6) |
C1A—O11A—Na2—O1W | −111.1 (4) | Na9—O12E—Na10—O21C | 28.0 (2) |
Na1—O11A—Na2—O1W | 97.2 (2) | Na8—O12E—Na10—O21C | −56.6 (2) |
C1A—O11A—Na2—O12B | 75.5 (4) | C1E—O12E—Na10—C2C | 109.3 (6) |
Na1—O11A—Na2—O12B | −76.1 (2) | Na9—O12E—Na10—C2C | 10.5 (2) |
C1A—O11A—Na2—O12A | 0.9 (4) | Na8—O12E—Na10—C2C | −74.06 (19) |
Na1—O11A—Na2—O12A | −150.7 (3) | C1E—O12E—Na10—Na8 | −176.6 (7) |
Na1—O11A—Na2—C1A | −151.6 (5) | Na9—O12E—Na10—Na8 | 84.58 (14) |
C1A—O11A—Na2—Na3 | 109.2 (4) | C1E—O12E—Na10—Na2ii | 73.0 (8) |
Na1—O11A—Na2—Na3 | −42.38 (15) | Na9—O12E—Na10—Na2ii | −25.9 (5) |
C1A—O11A—Na2—Na1 | 151.6 (5) | Na8—O12E—Na10—Na2ii | −110.4 (4) |
C1A—O11A—Na2—Na10i | −31.3 (4) | C1E—O12E—Na10—Na9 | 98.8 (7) |
Na1—O11A—Na2—Na10i | 177.08 (16) | Na8—O12E—Na10—Na9 | −84.58 (14) |
C1A—O11A—Na2—Na4 | 45.9 (4) | C1E—O12E—Na10—Na6 | 173.9 (6) |
Na1—O11A—Na2—Na4 | −105.75 (15) | Na9—O12E—Na10—Na6 | 75.09 (15) |
C1A—O12A—Na2—O21E | −33.9 (5) | Na8—O12E—Na10—Na6 | −9.49 (15) |
Na10i—O12A—Na2—O21E | −160.8 (2) | C2D—O21D—Na10—O12E | 136.3 (5) |
Na4—O12A—Na2—O21E | 86.1 (2) | Na8—O21D—Na10—O12E | −28.88 (15) |
C1A—O12A—Na2—O21Ci | 157.2 (4) | Na6—O21D—Na10—O12E | −129.22 (17) |
Na10i—O12A—Na2—O21Ci | 30.27 (16) | C2D—O21D—Na10—O12Aii | −6.9 (5) |
Na4—O12A—Na2—O21Ci | −82.82 (15) | Na8—O21D—Na10—O12Aii | −172.14 (17) |
C1A—O12A—Na2—O1W | 70.9 (5) | Na6—O21D—Na10—O12Aii | 87.52 (17) |
Na10i—O12A—Na2—O1W | −56.1 (2) | C2D—O21D—Na10—O22C | −142.8 (5) |
Na4—O12A—Na2—O1W | −169.18 (18) | Na8—O21D—Na10—O22C | 52.02 (19) |
C1A—O12A—Na2—O12B | −119.3 (4) | Na6—O21D—Na10—O22C | −48.3 (2) |
Na10i—O12A—Na2—O12B | 113.70 (17) | C2D—O21D—Na10—O21C | −93.2 (5) |
Na4—O12A—Na2—O12B | 0.62 (15) | Na8—O21D—Na10—O21C | 101.62 (16) |
C1A—O12A—Na2—O11A | −0.9 (4) | Na6—O21D—Na10—O21C | 1.28 (17) |
Na10i—O12A—Na2—O11A | −127.9 (2) | C2D—O21D—Na10—C2C | −116.2 (5) |
Na4—O12A—Na2—O11A | 119.1 (2) | Na8—O21D—Na10—C2C | 78.6 (2) |
Na10i—O12A—Na2—C1A | −127.0 (5) | Na6—O21D—Na10—C2C | −21.7 (2) |
Na4—O12A—Na2—C1A | 120.0 (5) | C2D—O21D—Na10—Na8 | 165.2 (5) |
C1A—O12A—Na2—Na3 | −76.8 (4) | Na6—O21D—Na10—Na8 | −100.34 (17) |
Na10i—O12A—Na2—Na3 | 156.29 (13) | C2D—O21D—Na10—Na2ii | −56.6 (5) |
Na4—O12A—Na2—Na3 | 43.20 (12) | Na8—O21D—Na10—Na2ii | 138.16 (12) |
C1A—O12A—Na2—Na1 | −19.1 (4) | Na6—O21D—Na10—Na2ii | 37.82 (17) |
Na10i—O12A—Na2—Na1 | −146.03 (14) | C2D—O21D—Na10—Na9 | 178.9 (4) |
Na4—O12A—Na2—Na1 | 100.89 (11) | Na8—O21D—Na10—Na9 | 13.71 (14) |
C1A—O12A—Na2—Na10i | 127.0 (5) | Na6—O21D—Na10—Na9 | −86.63 (15) |
Na4—O12A—Na2—Na10i | −113.08 (17) | C2D—O21D—Na10—Na6 | −94.4 (5) |
C1A—O12A—Na2—Na4 | −120.0 (5) | Na8—O21D—Na10—Na6 | 100.34 (17) |
Na10i—O12A—Na2—Na4 | 113.08 (17) | C2C—O22C—Na10—O12E | 165.2 (4) |
O12A—C1A—Na2—O21E | 154.2 (4) | Na9—O22C—Na10—O12E | −4.28 (18) |
O11A—C1A—Na2—O21E | −24.2 (5) | C2C—O22C—Na10—O12Aii | −20.7 (5) |
O12A—C1A—Na2—O21Ci | −23.4 (5) | Na9—O22C—Na10—O12Aii | 169.8 (2) |
O11A—C1A—Na2—O21Ci | 158.2 (4) | C2C—O22C—Na10—O21D | 83.1 (4) |
O12A—C1A—Na2—O1W | −112.8 (4) | Na9—O22C—Na10—O21D | −86.4 (2) |
O11A—C1A—Na2—O1W | 68.8 (4) | C2C—O22C—Na10—O3W | −105.1 (4) |
O12A—C1A—Na2—O12B | 64.9 (4) | Na9—O22C—Na10—O3W | 85.4 (2) |
O11A—C1A—Na2—O12B | −113.5 (4) | C2C—O22C—Na10—O21C | 8.7 (4) |
O12A—C1A—Na2—O11A | 178.4 (7) | Na9—O22C—Na10—O21C | −160.7 (3) |
O11A—C1A—Na2—O12A | −178.4 (7) | Na9—O22C—Na10—C2C | −169.5 (5) |
O12A—C1A—Na2—Na3 | 107.0 (4) | C2C—O22C—Na10—Na8 | 115.9 (4) |
O11A—C1A—Na2—Na3 | −71.4 (4) | Na9—O22C—Na10—Na8 | −53.60 (15) |
O12A—C1A—Na2—Na1 | 158.4 (5) | C2C—O22C—Na10—Na2ii | −23.6 (4) |
O11A—C1A—Na2—Na1 | −20.0 (4) | Na9—O22C—Na10—Na2ii | 166.92 (17) |
O12A—C1A—Na2—Na10i | −38.2 (4) | C2C—O22C—Na10—Na9 | 169.5 (5) |
O11A—C1A—Na2—Na10i | 143.4 (5) | C2C—O22C—Na10—Na6 | 50.9 (4) |
O12A—C1A—Na2—Na4 | 48.7 (4) | Na9—O22C—Na10—Na6 | −118.58 (17) |
O11A—C1A—Na2—Na4 | −129.6 (4) | C2C—O21C—Na10—O12E | −39.8 (4) |
O11A—Na1—Na2—O21E | −172.1 (2) | Na2ii—O21C—Na10—O12E | −158.01 (19) |
O21A—Na1—Na2—O21E | 92.15 (18) | Na6—O21C—Na10—O12E | 79.4 (2) |
O22E—Na1—Na2—O21E | −25.61 (17) | C2C—O21C—Na10—O12Aii | 150.6 (4) |
C2E—Na1—Na2—O21E | −17.19 (19) | Na2ii—O21C—Na10—O12Aii | 32.38 (17) |
Na9ii—Na1—Na2—O21E | 8.60 (16) | Na6—O21C—Na10—O12Aii | −90.19 (17) |
Na3—Na1—Na2—O21E | 59.16 (14) | C2C—O21C—Na10—O21D | −120.5 (4) |
Na8ii—Na1—Na2—O21E | 69.31 (15) | Na2ii—O21C—Na10—O21D | 121.30 (17) |
O11A—Na1—Na2—O21Ci | 5.4 (6) | Na6—O21C—Na10—O21D | −1.27 (17) |
O21A—Na1—Na2—O21Ci | −90.4 (6) | C2C—O21C—Na10—O3W | 55.1 (4) |
O22E—Na1—Na2—O21Ci | 151.9 (6) | Na2ii—O21C—Na10—O3W | −63.1 (2) |
O21E—Na1—Na2—O21Ci | 177.5 (7) | Na6—O21C—Na10—O3W | 174.3 (2) |
C2E—Na1—Na2—O21Ci | 160.3 (7) | C2C—O21C—Na10—O22C | −8.7 (4) |
Na9ii—Na1—Na2—O21Ci | −173.9 (6) | Na2ii—O21C—Na10—O22C | −126.9 (2) |
Na3—Na1—Na2—O21Ci | −123.4 (6) | Na6—O21C—Na10—O22C | 110.5 (2) |
Na8ii—Na1—Na2—O21Ci | −113.2 (6) | Na2ii—O21C—Na10—C2C | −118.2 (4) |
O11A—Na1—Na2—O1W | −81.5 (2) | Na6—O21C—Na10—C2C | 119.2 (4) |
O21A—Na1—Na2—O1W | −177.27 (19) | C2C—O21C—Na10—Na8 | −79.0 (4) |
O22E—Na1—Na2—O1W | 65.0 (2) | Na2ii—O21C—Na10—Na8 | 162.82 (13) |
O21E—Na1—Na2—O1W | 90.6 (2) | Na6—O21C—Na10—Na8 | 40.24 (14) |
C2E—Na1—Na2—O1W | 73.4 (2) | C2C—O21C—Na10—Na2ii | 118.2 (4) |
Na9ii—Na1—Na2—O1W | 99.18 (19) | Na6—O21C—Na10—Na2ii | −122.6 (2) |
Na3—Na1—Na2—O1W | 149.74 (17) | C2C—O21C—Na10—Na9 | −20.3 (4) |
Na8ii—Na1—Na2—O1W | 159.89 (16) | Na2ii—O21C—Na10—Na9 | −138.55 (13) |
O11A—Na1—Na2—O12B | 116.3 (2) | Na6—O21C—Na10—Na9 | 98.88 (13) |
O21A—Na1—Na2—O12B | 20.47 (16) | C2C—O21C—Na10—Na6 | −119.2 (4) |
O22E—Na1—Na2—O12B | −97.29 (16) | Na2ii—O21C—Na10—Na6 | 122.6 (2) |
O21E—Na1—Na2—O12B | −71.68 (17) | O22C—C2C—Na10—O12E | −15.5 (4) |
C2E—Na1—Na2—O12B | −88.87 (19) | O21C—C2C—Na10—O12E | 148.9 (4) |
Na9ii—Na1—Na2—O12B | −63.08 (16) | C44C—C2C—Na10—O12E | −94 (2) |
Na3—Na1—Na2—O12B | −12.52 (11) | O22C—C2C—Na10—O12Aii | 164.4 (4) |
Na8ii—Na1—Na2—O12B | −2.37 (14) | O21C—C2C—Na10—O12Aii | −31.2 (4) |
O21A—Na1—Na2—O11A | −95.8 (2) | C44C—C2C—Na10—O12Aii | 86 (2) |
O22E—Na1—Na2—O11A | 146.4 (2) | O22C—C2C—Na10—O21D | −103.1 (4) |
O21E—Na1—Na2—O11A | 172.1 (2) | O21C—C2C—Na10—O21D | 61.3 (4) |
C2E—Na1—Na2—O11A | 154.9 (2) | C44C—C2C—Na10—O21D | 178.1 (19) |
Na9ii—Na1—Na2—O11A | −179.3 (2) | O22C—C2C—Na10—O3W | 70.2 (4) |
Na3—Na1—Na2—O11A | −128.78 (19) | O21C—C2C—Na10—O3W | −125.4 (4) |
Na8ii—Na1—Na2—O11A | −118.62 (19) | C44C—C2C—Na10—O3W | −9 (2) |
O11A—Na1—Na2—O12A | 21.85 (19) | O21C—C2C—Na10—O22C | 164.3 (6) |
O21A—Na1—Na2—O12A | −73.93 (15) | C44C—C2C—Na10—O22C | −79 (2) |
O22E—Na1—Na2—O12A | 168.30 (16) | O22C—C2C—Na10—O21C | −164.3 (6) |
O21E—Na1—Na2—O12A | −166.09 (19) | C44C—C2C—Na10—O21C | 117 (2) |
C2E—Na1—Na2—O12A | 176.73 (19) | O22C—C2C—Na10—Na8 | −61.8 (4) |
Na9ii—Na1—Na2—O12A | −157.49 (14) | O21C—C2C—Na10—Na8 | 102.5 (4) |
Na3—Na1—Na2—O12A | −106.93 (12) | C44C—C2C—Na10—Na8 | −141 (2) |
Na8ii—Na1—Na2—O12A | −96.77 (12) | O22C—C2C—Na10—Na2ii | 152.1 (4) |
O11A—Na1—Na2—C1A | 13.0 (2) | O21C—C2C—Na10—Na2ii | −43.5 (3) |
O21A—Na1—Na2—C1A | −82.76 (19) | C44C—C2C—Na10—Na2ii | 73.3 (19) |
O22E—Na1—Na2—C1A | 159.5 (2) | O22C—C2C—Na10—Na9 | −7.2 (3) |
O21E—Na1—Na2—C1A | −174.9 (2) | O21C—C2C—Na10—Na9 | 157.2 (4) |
C2E—Na1—Na2—C1A | 167.9 (2) | C44C—C2C—Na10—Na9 | −86 (2) |
Na9ii—Na1—Na2—C1A | −166.31 (19) | O22C—C2C—Na10—Na6 | −120.2 (4) |
Na3—Na1—Na2—C1A | −115.75 (17) | O21C—C2C—Na10—Na6 | 44.2 (3) |
Na8ii—Na1—Na2—C1A | −105.60 (17) | C44C—C2C—Na10—Na6 | 161 (2) |
O11A—Na1—Na2—Na3 | 128.78 (19) | O21D—Na8—Na10—O12E | 140.3 (2) |
O21A—Na1—Na2—Na3 | 33.00 (12) | O21Ai—Na8—Na10—O12E | −9.3 (2) |
O22E—Na1—Na2—Na3 | −84.77 (13) | O11D—Na8—Na10—O12E | 125.4 (2) |
O21E—Na1—Na2—Na3 | −59.16 (14) | O11C—Na8—Na10—O12E | −140.14 (18) |
C2E—Na1—Na2—Na3 | −76.34 (16) | O12C—Na8—Na10—O12E | −88.93 (17) |
Na9ii—Na1—Na2—Na3 | −50.56 (11) | C1C—Na8—Na10—O12E | −114.3 (2) |
Na8ii—Na1—Na2—Na3 | 10.16 (7) | C2Ai—Na8—Na10—O12E | 15.8 (2) |
O11A—Na1—Na2—Na10i | −3.29 (18) | Na3i—Na8—Na10—O12E | −73.08 (18) |
O21A—Na1—Na2—Na10i | −99.08 (14) | Na9—Na8—Na10—O12E | −55.49 (14) |
O22E—Na1—Na2—Na10i | 143.16 (13) | Na7—Na8—Na10—O12E | −173.51 (16) |
O21E—Na1—Na2—Na10i | 168.77 (17) | O21D—Na8—Na10—O12Aii | 10.4 (2) |
C2E—Na1—Na2—Na10i | 151.58 (17) | O21Ai—Na8—Na10—O12Aii | −139.2 (2) |
Na9ii—Na1—Na2—Na10i | 177.37 (10) | O11D—Na8—Na10—O12Aii | −4.5 (3) |
Na3—Na1—Na2—Na10i | −132.07 (10) | O11C—Na8—Na10—O12Aii | 89.9 (2) |
Na8ii—Na1—Na2—Na10i | −121.92 (9) | O12E—Na8—Na10—O12Aii | −129.9 (2) |
O11A—Na1—Na2—Na4 | 74.54 (18) | O12C—Na8—Na10—O12Aii | 141.1 (2) |
O21A—Na1—Na2—Na4 | −21.24 (13) | C1C—Na8—Na10—O12Aii | 115.7 (2) |
O22E—Na1—Na2—Na4 | −139.01 (13) | C2Ai—Na8—Na10—O12Aii | −114.1 (3) |
O21E—Na1—Na2—Na4 | −113.39 (15) | Na3i—Na8—Na10—O12Aii | 156.99 (18) |
C2E—Na1—Na2—Na4 | −130.58 (16) | Na9—Na8—Na10—O12Aii | 174.6 (2) |
Na9ii—Na1—Na2—Na4 | −104.80 (11) | Na7—Na8—Na10—O12Aii | 56.6 (2) |
Na3—Na1—Na2—Na4 | −54.24 (7) | O21Ai—Na8—Na10—O21D | −149.6 (2) |
Na8ii—Na1—Na2—Na4 | −44.08 (9) | O11D—Na8—Na10—O21D | −14.9 (2) |
C1B—O12B—Na3—O12Cii | −73.2 (7) | O11C—Na8—Na10—O21D | 79.56 (18) |
Na2—O12B—Na3—O12Cii | 73.5 (4) | O12E—Na8—Na10—O21D | −140.3 (2) |
Na4—O12B—Na3—O12Cii | 171.4 (3) | O12C—Na8—Na10—O21D | 130.77 (19) |
C1B—O12B—Na3—O21A | 152.2 (6) | C1C—Na8—Na10—O21D | 105.4 (2) |
Na2—O12B—Na3—O21A | −61.0 (2) | C2Ai—Na8—Na10—O21D | −124.5 (3) |
Na4—O12B—Na3—O21A | 36.9 (2) | Na3i—Na8—Na10—O21D | 146.6 (2) |
C1B—O12B—Na3—O22B | 36.5 (6) | Na9—Na8—Na10—O21D | 164.21 (16) |
Na2—O12B—Na3—O22B | −176.68 (15) | Na7—Na8—Na10—O21D | 46.19 (16) |
Na4—O12B—Na3—O22B | −78.81 (17) | O21D—Na8—Na10—O3W | 172.4 (3) |
C1B—O12B—Na3—O21E | −118.4 (6) | O21Ai—Na8—Na10—O3W | 22.9 (3) |
Na2—O12B—Na3—O21E | 28.39 (13) | O11D—Na8—Na10—O3W | 157.5 (2) |
Na4—O12B—Na3—O21E | 126.27 (17) | O11C—Na8—Na10—O3W | −108.0 (2) |
C1B—O12B—Na3—O22A | 119.4 (6) | O12E—Na8—Na10—O3W | 32.1 (2) |
Na2—O12B—Na3—O22A | −93.83 (15) | O12C—Na8—Na10—O3W | −56.8 (2) |
Na4—O12B—Na3—O22A | 4.04 (15) | C1C—Na8—Na10—O3W | −82.2 (3) |
C1B—O12B—Na3—C2A | 135.5 (6) | C2Ai—Na8—Na10—O3W | 48.0 (3) |
Na2—O12B—Na3—C2A | −77.74 (19) | Na3i—Na8—Na10—O3W | −40.9 (3) |
Na4—O12B—Na3—C2A | 20.1 (2) | Na9—Na8—Na10—O3W | −23.3 (2) |
C1B—O12B—Na3—Na8ii | 115.0 (6) | Na7—Na8—Na10—O3W | −141.4 (2) |
Na2—O12B—Na3—Na8ii | −98.2 (3) | O21D—Na8—Na10—O22C | −129.17 (19) |
Na4—O12B—Na3—Na8ii | −0.3 (4) | O21Ai—Na8—Na10—O22C | 81.3 (2) |
C1B—O12B—Na3—Na2 | −146.8 (6) | O11D—Na8—Na10—O22C | −144.1 (2) |
Na4—O12B—Na3—Na2 | 97.87 (18) | O11C—Na8—Na10—O22C | −49.61 (16) |
C1B—O12B—Na3—Na1 | −163.3 (6) | O12E—Na8—Na10—O22C | 90.53 (18) |
Na2—O12B—Na3—Na1 | −16.56 (15) | O12C—Na8—Na10—O22C | 1.60 (16) |
Na4—O12B—Na3—Na1 | 81.32 (15) | C1C—Na8—Na10—O22C | −23.8 (2) |
C1B—O12B—Na3—Na5 | 77.2 (6) | C2Ai—Na8—Na10—O22C | 106.3 (3) |
Na2—O12B—Na3—Na5 | −136.05 (12) | Na3i—Na8—Na10—O22C | 17.45 (18) |
Na4—O12B—Na3—Na5 | −38.18 (14) | Na9—Na8—Na10—O22C | 35.04 (12) |
C1B—O12B—Na3—Na4 | 115.3 (6) | Na7—Na8—Na10—O22C | −82.98 (14) |
Na2—O12B—Na3—Na4 | −97.87 (18) | O21D—Na8—Na10—O21C | −79.78 (18) |
C2A—O21A—Na3—O12B | −41.9 (4) | O21Ai—Na8—Na10—O21C | 130.65 (19) |
Na8ii—O21A—Na3—O12B | −159.06 (17) | O11D—Na8—Na10—O21C | −94.7 (2) |
Na1—O21A—Na3—O12B | 81.9 (2) | O11C—Na8—Na10—O21C | −0.21 (16) |
C2A—O21A—Na3—O12Cii | 156.6 (4) | O12E—Na8—Na10—O21C | 139.93 (18) |
Na8ii—O21A—Na3—O12Cii | 39.43 (15) | O12C—Na8—Na10—O21C | 51.00 (16) |
Na1—O21A—Na3—O12Cii | −79.65 (17) | C1C—Na8—Na10—O21C | 25.59 (19) |
C2A—O21A—Na3—O22B | 64.5 (4) | C2Ai—Na8—Na10—O21C | 155.7 (2) |
Na8ii—O21A—Na3—O22B | −52.7 (2) | Na3i—Na8—Na10—O21C | 66.84 (18) |
Na1—O21A—Na3—O22B | −171.76 (17) | Na9—Na8—Na10—O21C | 84.44 (12) |
C2A—O21A—Na3—O21E | −123.0 (4) | Na7—Na8—Na10—O21C | −33.58 (14) |
Na8ii—O21A—Na3—O21E | 119.87 (17) | O21D—Na8—Na10—C2C | −105.7 (2) |
Na1—O21A—Na3—O21E | 0.79 (19) | O21Ai—Na8—Na10—C2C | 104.7 (2) |
C2A—O21A—Na3—O22A | 0.8 (4) | O11D—Na8—Na10—C2C | −120.6 (2) |
Na8ii—O21A—Na3—O22A | −116.3 (2) | O11C—Na8—Na10—C2C | −26.13 (19) |
Na1—O21A—Na3—O22A | 124.6 (2) | O12E—Na8—Na10—C2C | 114.0 (2) |
Na8ii—O21A—Na3—C2A | −117.2 (4) | O12C—Na8—Na10—C2C | 25.1 (2) |
Na1—O21A—Na3—C2A | 123.8 (4) | C1C—Na8—Na10—C2C | −0.3 (2) |
C2A—O21A—Na3—Na8ii | 117.2 (4) | C2Ai—Na8—Na10—C2C | 129.8 (3) |
Na1—O21A—Na3—Na8ii | −119.1 (2) | Na3i—Na8—Na10—C2C | 40.9 (2) |
C2A—O21A—Na3—Na2 | −80.0 (4) | Na9—Na8—Na10—C2C | 58.52 (16) |
Na8ii—O21A—Na3—Na2 | 162.87 (13) | Na7—Na8—Na10—C2C | −59.50 (18) |
Na1—O21A—Na3—Na2 | 43.79 (15) | O21D—Na8—Na10—Na2ii | −63.71 (18) |
C2A—O21A—Na3—Na1 | −123.8 (4) | O21Ai—Na8—Na10—Na2ii | 146.71 (17) |
Na8ii—O21A—Na3—Na1 | 119.1 (2) | O11D—Na8—Na10—Na2ii | −78.6 (2) |
C2A—O21A—Na3—Na5 | 36.5 (4) | O11C—Na8—Na10—Na2ii | 15.85 (17) |
Na8ii—O21A—Na3—Na5 | −80.63 (13) | O12E—Na8—Na10—Na2ii | 155.99 (19) |
Na1—O21A—Na3—Na5 | 160.29 (16) | O12C—Na8—Na10—Na2ii | 67.06 (17) |
C2A—O21A—Na3—Na4 | −19.2 (4) | C1C—Na8—Na10—Na2ii | 41.7 (2) |
Na8ii—O21A—Na3—Na4 | −136.36 (13) | C2Ai—Na8—Na10—Na2ii | 171.8 (2) |
Na1—O21A—Na3—Na4 | 104.55 (14) | Na3i—Na8—Na10—Na2ii | 82.91 (18) |
C2B—O22B—Na3—O12B | −22.5 (5) | Na9—Na8—Na10—Na2ii | 100.50 (12) |
Na7ii—O22B—Na3—O12B | 171.7 (2) | Na7—Na8—Na10—Na2ii | −17.52 (16) |
Na5—O22B—Na3—O12B | 77.34 (18) | O21D—Na8—Na10—Na9 | −164.21 (16) |
C2B—O22B—Na3—O12Cii | 132.9 (5) | O21Ai—Na8—Na10—Na9 | 46.22 (16) |
Na7ii—O22B—Na3—O12Cii | −32.9 (2) | O11D—Na8—Na10—Na9 | −179.14 (19) |
Na5—O22B—Na3—O12Cii | −127.24 (17) | O11C—Na8—Na10—Na9 | −84.65 (12) |
C2B—O22B—Na3—O21A | −143.7 (5) | O12E—Na8—Na10—Na9 | 55.49 (14) |
Na7ii—O22B—Na3—O21A | 50.5 (3) | O12C—Na8—Na10—Na9 | −33.44 (11) |
Na5—O22B—Na3—O21A | −43.8 (2) | C1C—Na8—Na10—Na9 | −58.85 (16) |
C2B—O22B—Na3—O21E | 53.8 (7) | C2Ai—Na8—Na10—Na9 | 71.3 (2) |
Na7ii—O22B—Na3—O21E | −112.0 (4) | Na3i—Na8—Na10—Na9 | −17.59 (13) |
Na5—O22B—Na3—O21E | 153.7 (4) | Na7—Na8—Na10—Na9 | −118.02 (10) |
C2B—O22B—Na3—O22A | −99.0 (5) | O21D—Na8—Na10—Na6 | −49.61 (15) |
Na7ii—O22B—Na3—O22A | 95.2 (2) | O21Ai—Na8—Na10—Na6 | 160.82 (18) |
Na5—O22B—Na3—O22A | 0.79 (17) | O11D—Na8—Na10—Na6 | −64.53 (18) |
C2B—O22B—Na3—C2A | −120.6 (5) | O11C—Na8—Na10—Na6 | 29.95 (11) |
Na7ii—O22B—Na3—C2A | 73.6 (2) | O12E—Na8—Na10—Na6 | 170.09 (15) |
Na5—O22B—Na3—C2A | −20.8 (2) | O12C—Na8—Na10—Na6 | 81.16 (12) |
C2B—O22B—Na3—Na8ii | −178.2 (5) | C1C—Na8—Na10—Na6 | 55.76 (16) |
Na7ii—O22B—Na3—Na8ii | 16.05 (18) | C2Ai—Na8—Na10—Na6 | −174.1 (2) |
Na5—O22B—Na3—Na8ii | −78.33 (14) | Na3i—Na8—Na10—Na6 | 97.01 (14) |
C2B—O22B—Na3—Na2 | −26.1 (6) | Na9—Na8—Na10—Na6 | 114.60 (8) |
Na7ii—O22B—Na3—Na2 | 168.16 (14) | Na7—Na8—Na10—Na6 | −3.42 (8) |
Na5—O22B—Na3—Na2 | 73.8 (2) | O22C—Na9—Na10—O12E | 174.0 (2) |
C2B—O22B—Na3—Na1 | −156.1 (4) | O22Ei—Na9—Na10—O12E | 2.2 (7) |
Na7ii—O22B—Na3—Na1 | 38.1 (4) | O2W—Na9—Na10—O12E | −105.9 (2) |
Na5—O22B—Na3—Na1 | −56.3 (4) | O12C—Na9—Na10—O12E | 95.73 (19) |
C2B—O22B—Na3—Na5 | −99.8 (5) | O11E—Na9—Na10—O12E | −22.62 (18) |
Na7ii—O22B—Na3—Na5 | 94.4 (2) | C1E—Na9—Na10—O12E | −17.9 (2) |
C2B—O22B—Na3—Na4 | −61.4 (5) | Na1i—Na9—Na10—O12E | 13.38 (17) |
Na7ii—O22B—Na3—Na4 | 132.81 (19) | Na8—Na9—Na10—O12E | 60.87 (16) |
Na5—O22B—Na3—Na4 | 38.42 (14) | Na3i—Na9—Na10—O12E | 70.35 (16) |
C2E—O21E—Na3—O12B | 164.5 (5) | O22C—Na9—Na10—O12Aii | −43.9 (8) |
Na2—O21E—Na3—O12B | −29.43 (14) | O22Ei—Na9—Na10—O12Aii | 144.3 (9) |
Na1—O21E—Na3—O12B | −117.67 (16) | O2W—Na9—Na10—O12Aii | 36.2 (9) |
C2E—O21E—Na3—O12Cii | 2.9 (5) | O12C—Na9—Na10—O12Aii | −122.2 (8) |
Na2—O21E—Na3—O12Cii | 169.00 (16) | O12E—Na9—Na10—O12Aii | 142.1 (9) |
Na1—O21E—Na3—O12Cii | 80.75 (15) | O11E—Na9—Na10—O12Aii | 119.5 (8) |
C2E—O21E—Na3—O21A | −78.6 (5) | C1E—Na9—Na10—O12Aii | 124.2 (8) |
Na2—O21E—Na3—O21A | 87.54 (17) | Na1i—Na9—Na10—O12Aii | 155.5 (8) |
Na1—O21E—Na3—O21A | −0.70 (17) | Na8—Na9—Na10—O12Aii | −157.0 (8) |
C2E—O21E—Na3—O22B | 85.1 (7) | Na3i—Na9—Na10—O12Aii | −147.5 (8) |
Na2—O21E—Na3—O22B | −108.8 (4) | O22C—Na9—Na10—O21D | 102.4 (2) |
Na1—O21E—Na3—O22B | 162.9 (4) | O22Ei—Na9—Na10—O21D | −69.4 (7) |
C2E—O21E—Na3—O22A | −126.0 (5) | O2W—Na9—Na10—O21D | −177.5 (2) |
Na2—O21E—Na3—O22A | 40.1 (2) | O12C—Na9—Na10—O21D | 24.14 (16) |
Na1—O21E—Na3—O22A | −48.1 (2) | O12E—Na9—Na10—O21D | −71.59 (19) |
C2E—O21E—Na3—C2A | −100.7 (5) | O11E—Na9—Na10—O21D | −94.21 (15) |
Na2—O21E—Na3—C2A | 65.4 (2) | C1E—Na9—Na10—O21D | −89.47 (19) |
Na1—O21E—Na3—C2A | −22.8 (2) | Na1i—Na9—Na10—O21D | −58.21 (15) |
C2E—O21E—Na3—Na8ii | −36.8 (5) | Na8—Na9—Na10—O21D | −10.72 (12) |
Na2—O21E—Na3—Na8ii | 129.25 (13) | Na3i—Na9—Na10—O21D | −1.24 (13) |
Na1—O21E—Na3—Na8ii | 41.00 (15) | O22C—Na9—Na10—O3W | −84.6 (2) |
C2E—O21E—Na3—Na2 | −166.1 (5) | O22Ei—Na9—Na10—O3W | 103.6 (7) |
Na1—O21E—Na3—Na2 | −88.25 (14) | O2W—Na9—Na10—O3W | −4.5 (2) |
C2E—O21E—Na3—Na1 | −77.9 (5) | O12C—Na9—Na10—O3W | −162.88 (18) |
Na2—O21E—Na3—Na1 | 88.25 (14) | O12E—Na9—Na10—O3W | 101.4 (2) |
C2E—O21E—Na3—Na5 | −148.6 (5) | O11E—Na9—Na10—O3W | 78.77 (17) |
Na2—O21E—Na3—Na5 | 17.5 (4) | C1E—Na9—Na10—O3W | 83.5 (2) |
Na1—O21E—Na3—Na5 | −70.8 (4) | Na1i—Na9—Na10—O3W | 114.77 (17) |
C2E—O21E—Na3—Na4 | −163.4 (5) | Na8—Na9—Na10—O3W | 162.26 (16) |
Na2—O21E—Na3—Na4 | 2.65 (14) | Na3i—Na9—Na10—O3W | 171.74 (15) |
Na1—O21E—Na3—Na4 | −85.59 (13) | O22Ei—Na9—Na10—O22C | −171.8 (7) |
C2A—O22A—Na3—O12B | 140.9 (4) | O2W—Na9—Na10—O22C | 80.1 (2) |
Na4—O22A—Na3—O12B | −4.24 (16) | O12C—Na9—Na10—O22C | −78.3 (2) |
Na5—O22A—Na3—O12B | −96.55 (16) | O12E—Na9—Na10—O22C | −174.0 (2) |
C2A—O22A—Na3—O12Cii | −32.0 (4) | O11E—Na9—Na10—O22C | 163.4 (2) |
Na4—O22A—Na3—O12Cii | −177.20 (18) | C1E—Na9—Na10—O22C | 168.1 (2) |
Na5—O22A—Na3—O12Cii | 90.5 (2) | Na1i—Na9—Na10—O22C | −160.6 (2) |
C2A—O22A—Na3—O21A | −0.8 (4) | Na8—Na9—Na10—O22C | −113.14 (19) |
Na4—O22A—Na3—O21A | −146.0 (2) | Na3i—Na9—Na10—O22C | −103.66 (19) |
Na5—O22A—Na3—O21A | 121.7 (2) | O22C—Na9—Na10—O21C | 15.1 (2) |
C2A—O22A—Na3—O22B | −123.3 (4) | O22Ei—Na9—Na10—O21C | −156.7 (6) |
Na4—O22A—Na3—O22B | 91.54 (17) | O2W—Na9—Na10—O21C | 95.22 (19) |
Na5—O22A—Na3—O22B | −0.78 (16) | O12C—Na9—Na10—O21C | −63.17 (15) |
C2A—O22A—Na3—O21E | 69.6 (4) | O12E—Na9—Na10—O21C | −158.90 (19) |
Na4—O22A—Na3—O21E | −75.6 (2) | O11E—Na9—Na10—O21C | 178.48 (15) |
Na5—O22A—Na3—O21E | −167.91 (17) | C1E—Na9—Na10—O21C | −176.78 (19) |
Na4—O22A—Na3—C2A | −145.2 (4) | Na1i—Na9—Na10—O21C | −145.53 (13) |
Na5—O22A—Na3—C2A | 122.5 (4) | Na8—Na9—Na10—O21C | −98.03 (12) |
C2A—O22A—Na3—Na8ii | −40.9 (4) | Na3i—Na9—Na10—O21C | −88.55 (12) |
Na4—O22A—Na3—Na8ii | 173.90 (15) | O22C—Na9—Na10—C2C | 5.2 (2) |
Na5—O22A—Na3—Na8ii | 81.59 (13) | O22Ei—Na9—Na10—C2C | −166.7 (7) |
C2A—O22A—Na3—Na2 | 95.9 (4) | O2W—Na9—Na10—C2C | 85.3 (2) |
Na4—O22A—Na3—Na2 | −49.32 (13) | O12C—Na9—Na10—C2C | −73.12 (18) |
Na5—O22A—Na3—Na2 | −141.63 (14) | O12E—Na9—Na10—C2C | −168.8 (2) |
C2A—O22A—Na3—Na1 | 34.0 (4) | O11E—Na9—Na10—C2C | 168.53 (19) |
Na4—O22A—Na3—Na1 | −111.21 (14) | C1E—Na9—Na10—C2C | 173.3 (2) |
Na5—O22A—Na3—Na1 | 156.48 (14) | Na1i—Na9—Na10—C2C | −155.47 (18) |
C2A—O22A—Na3—Na5 | −122.5 (4) | Na8—Na9—Na10—C2C | −107.97 (16) |
Na4—O22A—Na3—Na5 | 92.31 (18) | Na3i—Na9—Na10—C2C | −98.49 (16) |
C2A—O22A—Na3—Na4 | 145.2 (4) | O22C—Na9—Na10—Na8 | 113.14 (19) |
Na5—O22A—Na3—Na4 | −92.31 (18) | O22Ei—Na9—Na10—Na8 | −58.7 (6) |
O21A—C2A—Na3—O12B | 143.2 (4) | O2W—Na9—Na10—Na8 | −166.75 (18) |
O22A—C2A—Na3—O12B | −38.3 (4) | O12C—Na9—Na10—Na8 | 34.86 (11) |
Na8ii—C2A—Na3—O12B | −170.31 (15) | O12E—Na9—Na10—Na8 | −60.87 (16) |
O21A—C2A—Na3—O12Cii | −24.1 (4) | O11E—Na9—Na10—Na8 | −83.49 (12) |
O22A—C2A—Na3—O12Cii | 154.4 (4) | C1E—Na9—Na10—Na8 | −78.75 (16) |
Na8ii—C2A—Na3—O12Cii | 22.38 (17) | Na1i—Na9—Na10—Na8 | −47.50 (10) |
O22A—C2A—Na3—O21A | 178.5 (7) | Na3i—Na9—Na10—Na8 | 9.48 (7) |
Na8ii—C2A—Na3—O21A | 46.5 (4) | O22C—Na9—Na10—Na2ii | −14.74 (19) |
O21A—C2A—Na3—O22B | −121.4 (4) | O22Ei—Na9—Na10—Na2ii | 173.4 (6) |
O22A—C2A—Na3—O22B | 57.2 (4) | O2W—Na9—Na10—Na2ii | 65.37 (18) |
Na8ii—C2A—Na3—O22B | −74.87 (16) | O12C—Na9—Na10—Na2ii | −93.02 (14) |
O21A—C2A—Na3—O21E | 61.1 (4) | O12E—Na9—Na10—Na2ii | 171.25 (18) |
O22A—C2A—Na3—O21E | −120.4 (4) | O11E—Na9—Na10—Na2ii | 148.63 (12) |
Na8ii—C2A—Na3—O21E | 107.60 (17) | C1E—Na9—Na10—Na2ii | 153.37 (17) |
O21A—C2A—Na3—O22A | −178.5 (7) | Na1i—Na9—Na10—Na2ii | −175.37 (9) |
Na8ii—C2A—Na3—O22A | −132.0 (4) | Na8—Na9—Na10—Na2ii | −127.88 (10) |
O21A—C2A—Na3—Na8ii | −46.5 (4) | Na3i—Na9—Na10—Na2ii | −118.40 (9) |
O22A—C2A—Na3—Na8ii | 132.0 (4) | O22C—Na9—Na10—Na6 | 58.62 (19) |
O21A—C2A—Na3—Na2 | 99.6 (4) | O22Ei—Na9—Na10—Na6 | −113.2 (6) |
O22A—C2A—Na3—Na2 | −81.9 (4) | O2W—Na9—Na10—Na6 | 138.73 (17) |
Na8ii—C2A—Na3—Na2 | 146.05 (12) | O12C—Na9—Na10—Na6 | −19.67 (13) |
O21A—C2A—Na3—Na1 | 41.0 (3) | O12E—Na9—Na10—Na6 | −115.40 (17) |
O22A—C2A—Na3—Na1 | −140.5 (4) | O11E—Na9—Na10—Na6 | −138.02 (12) |
Na8ii—C2A—Na3—Na1 | 87.44 (14) | C1E—Na9—Na10—Na6 | −133.28 (16) |
O21A—C2A—Na3—Na5 | −137.3 (4) | Na1i—Na9—Na10—Na6 | −102.02 (10) |
O22A—C2A—Na3—Na5 | 41.2 (3) | Na8—Na9—Na10—Na6 | −54.53 (7) |
Na8ii—C2A—Na3—Na5 | −90.79 (13) | Na3i—Na9—Na10—Na6 | −45.05 (9) |
O21A—C2A—Na3—Na4 | 157.9 (4) | O11C—Na6—Na10—O12E | −24.75 (17) |
O22A—C2A—Na3—Na4 | −23.6 (3) | O11Bii—Na6—Na10—O12E | 176.42 (17) |
Na8ii—C2A—Na3—Na4 | −155.64 (16) | O21Biv—Na6—Na10—O12E | 36.6 (3) |
O21E—Na2—Na3—O12B | 136.6 (2) | O22D—Na6—Na10—O12E | 99.56 (17) |
O21Ci—Na2—Na3—O12B | 4.7 (2) | O21D—Na6—Na10—O12E | 55.9 (2) |
O1W—Na2—Na3—O12B | 148.1 (3) | O21C—Na6—Na10—O12E | −126.0 (2) |
O11A—Na2—Na3—O12B | −131.9 (2) | C2D—Na6—Na10—O12E | 83.5 (2) |
O12A—Na2—Na3—O12B | −84.46 (18) | Na4ii—Na6—Na10—O12E | 143.89 (14) |
C1A—Na2—Na3—O12B | −108.4 (2) | Na7—Na6—Na10—O12E | 11.33 (16) |
Na1—Na2—Na3—O12B | −161.66 (16) | Na5iv—Na6—Na10—O12E | 81.25 (15) |
Na10i—Na2—Na3—O12B | −60.61 (19) | Na8—Na6—Na10—O12E | 7.99 (12) |
Na4—Na2—Na3—O12B | −46.32 (15) | O11C—Na6—Na10—O12Aii | −171.57 (16) |
O21E—Na2—Na3—O12Cii | −13.03 (19) | O11Bii—Na6—Na10—O12Aii | 29.60 (18) |
O21Ci—Na2—Na3—O12Cii | −144.94 (19) | O21Biv—Na6—Na10—O12Aii | −110.2 (3) |
O1W—Na2—Na3—O12Cii | −1.5 (3) | O22D—Na6—Na10—O12Aii | −47.26 (16) |
O12B—Na2—Na3—O12Cii | −149.7 (2) | O21D—Na6—Na10—O12Aii | −90.9 (2) |
O11A—Na2—Na3—O12Cii | 78.44 (19) | O21C—Na6—Na10—O12Aii | 87.2 (2) |
O12A—Na2—Na3—O12Cii | 125.89 (18) | C2D—Na6—Na10—O12Aii | −63.4 (2) |
C1A—Na2—Na3—O12Cii | 101.9 (2) | Na4ii—Na6—Na10—O12Aii | −2.93 (13) |
Na1—Na2—Na3—O12Cii | 48.69 (15) | Na7—Na6—Na10—O12Aii | −135.49 (14) |
Na10i—Na2—Na3—O12Cii | 149.73 (16) | Na5iv—Na6—Na10—O12Aii | −65.57 (15) |
Na4—Na2—Na3—O12Cii | 164.03 (16) | Na8—Na6—Na10—O12Aii | −138.83 (14) |
O21E—Na2—Na3—O21A | −94.42 (18) | O11C—Na6—Na10—O21D | −80.6 (2) |
O21Ci—Na2—Na3—O21A | 133.66 (19) | O11Bii—Na6—Na10—O21D | 120.5 (2) |
O1W—Na2—Na3—O21A | −82.9 (3) | O21Biv—Na6—Na10—O21D | −19.2 (3) |
O12B—Na2—Na3—O21A | 128.96 (19) | O22D—Na6—Na10—O21D | 43.68 (19) |
O11A—Na2—Na3—O21A | −2.95 (17) | O21C—Na6—Na10—O21D | 178.2 (2) |
O12A—Na2—Na3—O21A | 44.49 (17) | C2D—Na6—Na10—O21D | 27.6 (2) |
C1A—Na2—Na3—O21A | 20.5 (2) | Na4ii—Na6—Na10—O21D | 88.01 (18) |
Na1—Na2—Na3—O21A | −32.70 (12) | Na7—Na6—Na10—O21D | −44.55 (18) |
Na10i—Na2—Na3—O21A | 68.34 (18) | Na5iv—Na6—Na10—O21D | 25.37 (18) |
Na4—Na2—Na3—O21A | 82.64 (13) | Na8—Na6—Na10—O21D | −47.89 (17) |
O21E—Na2—Na3—O22B | 141.7 (2) | O11C—Na6—Na10—O3W | 91.9 (3) |
O21Ci—Na2—Na3—O22B | 9.8 (3) | O11Bii—Na6—Na10—O3W | −66.9 (3) |
O1W—Na2—Na3—O22B | 153.2 (3) | O21Biv—Na6—Na10—O3W | 153.3 (4) |
O12B—Na2—Na3—O22B | 5.0 (2) | O22D—Na6—Na10—O3W | −143.8 (3) |
O11A—Na2—Na3—O22B | −126.9 (2) | O21D—Na6—Na10—O3W | 172.5 (4) |
O12A—Na2—Na3—O22B | −79.4 (2) | O21C—Na6—Na10—O3W | −9.3 (3) |
C1A—Na2—Na3—O22B | −103.4 (2) | C2D—Na6—Na10—O3W | −159.9 (4) |
Na1—Na2—Na3—O22B | −156.6 (2) | Na4ii—Na6—Na10—O3W | −99.5 (3) |
Na10i—Na2—Na3—O22B | −55.6 (2) | Na7—Na6—Na10—O3W | 128.0 (3) |
Na4—Na2—Na3—O22B | −41.27 (19) | Na5iv—Na6—Na10—O3W | −162.1 (3) |
O21Ci—Na2—Na3—O21E | −131.9 (2) | Na8—Na6—Na10—O3W | 124.6 (3) |
O1W—Na2—Na3—O21E | 11.5 (3) | O11C—Na6—Na10—O22C | 51.39 (16) |
O12B—Na2—Na3—O21E | −136.6 (2) | O11Bii—Na6—Na10—O22C | −107.44 (18) |
O11A—Na2—Na3—O21E | 91.47 (18) | O21Biv—Na6—Na10—O22C | 112.8 (3) |
O12A—Na2—Na3—O21E | 138.92 (19) | O22D—Na6—Na10—O22C | 175.70 (17) |
C1A—Na2—Na3—O21E | 114.9 (2) | O21D—Na6—Na10—O22C | 132.0 (2) |
Na1—Na2—Na3—O21E | 61.72 (14) | O21C—Na6—Na10—O22C | −49.82 (18) |
Na10i—Na2—Na3—O21E | 162.8 (2) | C2D—Na6—Na10—O22C | 159.6 (2) |
Na4—Na2—Na3—O21E | 177.06 (16) | Na4ii—Na6—Na10—O22C | −139.97 (14) |
O21E—Na2—Na3—O22A | −145.18 (18) | Na7—Na6—Na10—O22C | 87.47 (15) |
O21Ci—Na2—Na3—O22A | 82.90 (19) | Na5iv—Na6—Na10—O22C | 157.39 (15) |
O1W—Na2—Na3—O22A | −133.7 (3) | Na8—Na6—Na10—O22C | 84.13 (14) |
O12B—Na2—Na3—O22A | 78.19 (18) | O11C—Na6—Na10—O21C | 101.21 (19) |
O11A—Na2—Na3—O22A | −53.71 (16) | O11Bii—Na6—Na10—O21C | −57.62 (19) |
O12A—Na2—Na3—O22A | −6.27 (15) | O21Biv—Na6—Na10—O21C | 162.6 (3) |
C1A—Na2—Na3—O22A | −30.25 (19) | O22D—Na6—Na10—O21C | −134.5 (2) |
Na1—Na2—Na3—O22A | −83.46 (11) | O21D—Na6—Na10—O21C | −178.2 (2) |
Na10i—Na2—Na3—O22A | 17.58 (17) | C2D—Na6—Na10—O21C | −150.6 (2) |
Na4—Na2—Na3—O22A | 31.87 (10) | Na4ii—Na6—Na10—O21C | −90.15 (16) |
O21E—Na2—Na3—C2A | −119.4 (2) | Na7—Na6—Na10—O21C | 137.29 (18) |
O21Ci—Na2—Na3—C2A | 108.7 (2) | Na5iv—Na6—Na10—O21C | −152.79 (19) |
O1W—Na2—Na3—C2A | −107.9 (3) | Na8—Na6—Na10—O21C | 133.95 (17) |
O12B—Na2—Na3—C2A | 103.9 (2) | O11C—Na6—Na10—C2C | 74.7 (2) |
O11A—Na2—Na3—C2A | −28.0 (2) | O11Bii—Na6—Na10—C2C | −84.2 (2) |
O12A—Na2—Na3—C2A | 19.48 (19) | O21Biv—Na6—Na10—C2C | 136.0 (3) |
C1A—Na2—Na3—C2A | −4.5 (2) | O22D—Na6—Na10—C2C | −161.0 (2) |
Na1—Na2—Na3—C2A | −57.71 (16) | O21D—Na6—Na10—C2C | 155.3 (3) |
Na10i—Na2—Na3—C2A | 43.3 (2) | O21C—Na6—Na10—C2C | −26.5 (2) |
Na4—Na2—Na3—C2A | 57.63 (16) | C2D—Na6—Na10—C2C | −177.1 (2) |
O21E—Na2—Na3—Na8ii | −77.85 (18) | Na4ii—Na6—Na10—C2C | −116.70 (18) |
O21Ci—Na2—Na3—Na8ii | 150.24 (16) | Na7—Na6—Na10—C2C | 110.75 (19) |
O1W—Na2—Na3—Na8ii | −66.3 (3) | Na5iv—Na6—Na10—C2C | −179.3 (2) |
O12B—Na2—Na3—Na8ii | 145.53 (19) | Na8—Na6—Na10—C2C | 107.40 (18) |
O11A—Na2—Na3—Na8ii | 13.63 (18) | O11C—Na6—Na10—Na8 | −32.74 (11) |
O12A—Na2—Na3—Na8ii | 61.07 (17) | O11Bii—Na6—Na10—Na8 | 168.43 (15) |
C1A—Na2—Na3—Na8ii | 37.1 (2) | O21Biv—Na6—Na10—Na8 | 28.6 (3) |
Na1—Na2—Na3—Na8ii | −16.13 (11) | O22D—Na6—Na10—Na8 | 91.57 (12) |
Na10i—Na2—Na3—Na8ii | 84.92 (18) | O21D—Na6—Na10—Na8 | 47.89 (17) |
Na4—Na2—Na3—Na8ii | 99.21 (12) | O21C—Na6—Na10—Na8 | −133.95 (17) |
O21E—Na2—Na3—Na1 | −61.72 (14) | C2D—Na6—Na10—Na8 | 75.47 (18) |
O21Ci—Na2—Na3—Na1 | 166.36 (18) | Na4ii—Na6—Na10—Na8 | 135.90 (8) |
O1W—Na2—Na3—Na1 | −50.2 (3) | Na7—Na6—Na10—Na8 | 3.34 (8) |
O12B—Na2—Na3—Na1 | 161.66 (16) | Na5iv—Na6—Na10—Na8 | 73.26 (10) |
O11A—Na2—Na3—Na1 | 29.75 (12) | O11C—Na6—Na10—Na2ii | 136.89 (12) |
O12A—Na2—Na3—Na1 | 77.19 (12) | O11Bii—Na6—Na10—Na2ii | −21.94 (14) |
C1A—Na2—Na3—Na1 | 53.22 (17) | O21Biv—Na6—Na10—Na2ii | −161.7 (3) |
Na10i—Na2—Na3—Na1 | 101.04 (14) | O22D—Na6—Na10—Na2ii | −98.80 (12) |
Na4—Na2—Na3—Na1 | 115.34 (8) | O21D—Na6—Na10—Na2ii | −142.48 (18) |
O21E—Na2—Na3—Na5 | −172.97 (16) | O21C—Na6—Na10—Na2ii | 35.68 (15) |
O21Ci—Na2—Na3—Na5 | 55.11 (18) | C2D—Na6—Na10—Na2ii | −114.90 (18) |
O1W—Na2—Na3—Na5 | −161.4 (2) | Na4ii—Na6—Na10—Na2ii | −54.47 (7) |
O12B—Na2—Na3—Na5 | 50.41 (16) | Na7—Na6—Na10—Na2ii | 172.97 (9) |
O11A—Na2—Na3—Na5 | −81.50 (14) | Na5iv—Na6—Na10—Na2ii | −117.11 (10) |
O12A—Na2—Na3—Na5 | −34.06 (14) | Na8—Na6—Na10—Na2ii | 169.63 (8) |
C1A—Na2—Na3—Na5 | −58.03 (19) | O11C—Na6—Na10—Na9 | 18.76 (12) |
Na1—Na2—Na3—Na5 | −111.25 (9) | O11Bii—Na6—Na10—Na9 | −140.07 (14) |
Na10i—Na2—Na3—Na5 | −10.21 (17) | O21Biv—Na6—Na10—Na9 | 80.1 (3) |
Na4—Na2—Na3—Na5 | 4.09 (8) | O22D—Na6—Na10—Na9 | 143.07 (13) |
O21E—Na2—Na3—Na4 | −177.06 (16) | O21D—Na6—Na10—Na9 | 99.39 (18) |
O21Ci—Na2—Na3—Na4 | 51.03 (16) | O21C—Na6—Na10—Na9 | −82.45 (16) |
O1W—Na2—Na3—Na4 | −165.5 (3) | C2D—Na6—Na10—Na9 | 126.97 (19) |
O12B—Na2—Na3—Na4 | 46.32 (15) | Na4ii—Na6—Na10—Na9 | −172.60 (8) |
O11A—Na2—Na3—Na4 | −85.58 (13) | Na7—Na6—Na10—Na9 | 54.84 (10) |
O12A—Na2—Na3—Na4 | −38.14 (12) | Na5iv—Na6—Na10—Na9 | 124.76 (10) |
C1A—Na2—Na3—Na4 | −62.12 (17) | Na8—Na6—Na10—Na9 | 51.50 (7) |
Na1—Na2—Na3—Na4 | −115.34 (8) |
Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) −x+1, y−1/2, −z+1/2; (iii) x+1/2, y, −z+1/2; (iv) x−1/2, y, −z+1/2. |
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H12···O11E | 0.91 (5) | 2.16 (6) | 2.793 (6) | 126 (6) |
O1W—H11···O2W | 0.90 (5) | 2.01 (4) | 2.837 (9) | 153 (8) |
O2W—H22···O11A | 0.90 (5) | 2.04 (4) | 2.849 (6) | 150 (7) |
O2W—H21···O3W | 0.90 (5) | 2.14 (4) | 2.906 (9) | 143 (6) |
O3W—H32···O22E | 0.91 (6) | 2.02 (6) | 2.714 (6) | 132 (7) |
O3W—H31···O1Wii | 0.90 (5) | 1.98 (4) | 2.772 (8) | 146 (7) |
Symmetry code: (ii) −x+1, y−1/2, −z+1/2. |
Bond/Angle (Å, °) | (A) | (B) | (C) | (D) | (E) |
Ferrocenyl groupa-c | |||||
Fe-C minimum | 2.025 (6) | 2.031 (7) | 2.026 (6) | 2.026 (6) | 2.023 (6) |
Fe-C maximum | 2.066 (6) | 2.076 (6) | 2.084 (6) | 2.079 (6) | 2.061 (7) |
Fen···Cg | 1.651 (3) | 1.660 (3) | 1.657 (3) | 1.654 (3) | 1.644 (3) |
Fen···Cg | 1.645 (3) | 1.646 (3) | 1.650 (3) | 1.656 (3) | 1.644 (3) |
Cg···Fen···Cg | 178.56 (17) | 179.49 (16) | 179.12 (17) | 179.34 (17) | 179.27 (17) |
C1mn..Cg..Cg..C2mn | -4.2 (5) | 4.5 (5) | -6.1 (5) | 5.9 (5) | -4.4 (4) |
C1mn..Cg..Cg..C2mn | -5.3 (5) | 5.8 (5) | -7.4 (5) | 7.4 (5) | -5.9 (4) |
C1n..C11n..C21n..C2n | -5.59 (15) | 5.62 (15) | -7.35 (15) | 6.51 (14) | -9.62 (19) |
Fe-C11n-C31narc | 128.8 (4) | 128.7 (4) | 130.0 (4) | 128.4 (4) | 130.2 (5) |
Fe-C21n-C41narc | 127.1 (4) | 126.5 (4) | 125.3 (4) | 125.2 (4) | 128.7 (5) |
Carboxylate CO2- d, C6 | |||||
C1n-O11n/C1n-O12n | 1.261 (8) | 1.265 (7) | 1.266 (7) | 1.264 (7) | 1.265 (7) |
O11n-C1n-O12n | 123.4 (6) | 123.8 (6) | 122.7 (6) | 123.3 (6) | 123.8 (6) |
C2n-O21n/C2n-O22n | 1.270 (7) | 1.259 (7) | 1.262 (7) | 1.259 (7) | 1.263 (7) |
O21n-C2n-O22n | 122.0 (6) | 123.3 (6) | 123.6 (6) | 123.2 (6) | 122.5 (6) |
C31n···C41n | 3.432 (9) | 3.387 (9) | 3.448 (10) | 3.391 (9) | 3.460 (9) |
C34n···C44n | 3.541 (9) | 3.456 (9) | 3.484 (9) | 3.465 (9) | 4.331 (9) |
C1n···C2n | 3.530 (10) | 3.448 (9) | 3.400 (9) | 3.463 (9) | 5.113 (9) |
C1n···Fe···C2n | 28.33 (8) | 27.62 (7) | 27.22 (7) | 27.76 (7) | 40.59 (7) |
C1n···C31n···C11n | 174.6 (4) | 178.1 (5) | 177.2 (4) | 179.7 (5) | 172.3 (4) |
C2n···C41n···C21n | 177.8 (4) | 179.3 (5) | 172.0 (4) | 178.2 (4) | 172.2 (4) |
Interplanar angles | |||||
C5H4/C5H4 | 1.6 (5) | 0.3 (5) | 1.5 (5) | 1.2 (5) | 0.7 (5) |
C5H4/C6H4 | 7.3 (4) | 11.1 (4) | 11.2 (4) | 10.6 (4) | 17.4 (4) |
C5H4/C6H4 | 11.2 (4) | 12.4 (4) | 10.2 (4) | 10.1 (4) | 16.0 (4) |
C6H4/C6H4 | 3.2 (3) | 1.3 (3) | 2.1 (3) | 0.6 (3) | 18.6 (3) |
Notes:
(a) Cg is the C5H4 ring centroid for {C11n,···,C15n},
{C21n,···,C25n}: (n = A to E). (b) Average values for the C1mn···Cg···Cg···C2mn torsion angles (m = 1-5; n = A to E). (c) The two Fe-Ccp-Car angles per dianion. (d) Average of the two C-O distances for every CO2- moiety (n = A to E). |
Na+ | Na···O | Na···O | Na···O | Na···O | Na···O | Na···O | Δ range |
Na1 | 2.226 (5) | 2.285 (5) | 2.349 (5) | 2.351 (5) | 2.673 (4) | 3.131 (6)b | 0.90 |
Na2 | 2.318 (5) | 2.339 (5) | 2.380 (5)b | 2.397 (5) | 2.438 (5) | 2.815 (5) | 0.50 |
Na3 | 2.302 (5) | 2.355 (5) | 2.368 (4) | 2.402 (5) | 2.544 (5) | 2.719 (4) | 0.42 |
Na4 | 2.246 (5) | 2.326 (5) | 2.404 (4) | 2.419 (5) | 2.665 (4) | 2.979 (5) | 0.73 |
Na5 | 2.339 (5) | 2.412 (5) | 2.433 (4) | 2.446 (5) | 2.492 (5) | 2.549 (4) | 0.21c |
Na6 | 2.339 (5) | 2.406 (5) | 2.432 (5) | 2.479 (4) | 2.501 (4) | 2.502 (5) | 0.16c |
Na7 | 2.278 (5) | 2.345 (5) | 2.422 (5) | 2.464 (4) | 2.594 (5) | 2.701 (4) | 0.42 |
Na8 | 2.284 (5) | 2.332 (5) | 2.525 (5) | 2.528 (4) | 2.552 (5) | 2.570 (4) | 0.29 |
Na9 | 2.201 (5) | 2.306 (5) | 2.442 (5)b | 2.472 (5) | 2.519 (4) | 2.610 (5) | 0.41 |
Na10 | 2.347 (5) | 2.352 (5) | 2.372 (5) | 2.390 (5)b | 2.415 (5) | 2.623 (5) | 0.28 |
Notes: (a) The six shortest Na···O distances are listed for each Na+. (b) The Na···O distance involves a water molecule. (c) The smallest Na···O distance ranges are for Na5 and Na6. |
Na+ | Cxni | CO2···Naii | O···Na···Oiii | O···Na···Oiii |
Na1 | C2E | 51.82 (14) | 138.42 (19) | 155.13 (18)iv |
Na2 | C1A | 49.36 (14) | 142.88 (17) | 158.9 (2)iv |
Na3 | C2A | 51.23 (14) | 153.87 (17) | 154.54 (15) |
Na4 | C1B | 51.94 (14) | 147.18 (15) | 149.84 (17) |
Na5 | C2B | 52.78 (14) | 149.00 (17) | 158.01 (16) |
Na6 | C2D | 52.80 (14) | 147.64 (16) | 158.68 (16) |
Na7 | C1D | 50.81 (13) | 145.43 (16) | 154.62 (17) |
Na8 | C1C | 51.69 (13) | 142.62 (15) | 156.71 (17) |
Na9 | C1E | 51.52 (13) | 150.79 (18) | 158.3 (2)iv |
Na10 | C2C | 52.20 (15) | 142.68 (17) | 172.0 (2)iv |
Notes: (i) The carboxylate group chelating Na+ (with x = 1 or 2, n = A to E). (ii) The carboxylate O-C-O chelate angle at Na+. (iii) The two basal trans O···Na···O angles. (iv) Involving one water molecule. |
Bond/Angle (Å, °) | Molecule A | Molecule B |
Fe···Cga | 1.6491 (15)/1.6485 (13) | 1.6526 (15)/1.6501 (14) |
Fe-C range | 2.035 (3)-2.068 (3) | 2.035 (3)-2.072 (3) |
Fe-Ccp-Car | 125.8 (2)/128.5 (2) | 125.9 (2)/128.6 (2) |
Cg···Fe···Cga | 179.40 (7) | 179.22 (8) |
C1mn···Cg···Cg···C2mna,b | -4.0 (2) | 2.8 (2) |
C5H4/C5H4 | 2.0 (2) | 1.9 (2) |
C6/C6 | 3.55 (17) | 4.12 (17) |
C=O | 1.209 (4)/1.210 (4) | 1.212 (4)/1.213 (4) |
C-O | 1.347 (4)/1.344 (4) | 1.343 (4)/1.340 (4) |
O=C-O | 122.9 (3)/123.5 (3) | 123.4 (3)/123.5 (3) |
Notes: (a) Cg represents ring centroids as Cg1/Cg2 and Cg3/Cg4 in the C5H4 rings. (b) Average data for C1mn···Cg···Cg···C2mn torsion angles (m = 1-5: n = A,B). |