Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806054730/wm2078sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806054730/wm2078Isup2.hkl |
CCDC reference: 636827
Key indicators
- Single-crystal X-ray study
- T = 291 K
- R factor = 0.037
- wR factor = 0.082
- Data-to-parameter ratio = 13.0
checkCIF/PLATON results
No syntax errors found No errors found in this datablock
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.
[PtFe(C6F6S)2(C17H14P)2] | F(000) = 4480 |
Mr = 1147.68 | Dx = 1.848 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 8741 reflections |
a = 19.7466 (9) Å | θ = 2.3–30.9° |
b = 22.0846 (10) Å | µ = 4.00 mm−1 |
c = 19.7669 (9) Å | T = 291 K |
β = 106.807 (1)° | Prism, yellow |
V = 8252.0 (7) Å3 | 0.20 × 0.16 × 0.08 mm |
Z = 8 |
Bruker SMART APEX CCD diffractometer | 14535 independent reflections |
Radiation source: fine-focus sealed tube | 11545 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.066 |
Detector resolution: 0.84 pixels mm-1 | θmax = 25.0°, θmin = 1.4° |
ω scans | h = −23→23 |
Absorption correction: multi-scan (SADABS; Sheldrick, 1998) | k = −26→26 |
Tmin = 0.502, Tmax = 0.740 | l = −23→23 |
67222 measured reflections |
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)] = 0.037 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.082 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0356P)2] where P = (Fo2 + 2Fc2)/3 |
14535 reflections | (Δ/σ)max = 0.003 |
1117 parameters | Δρmax = 1.07 e Å−3 |
0 restraints | Δρmin = −0.45 e Å−3 |
Experimental. 1H NMR (300 MHz, CDCl3): δ 7.95–7.25 (m, Ph, 20H), 4.43 (s, Cp, 4H), 4.27 (s, Cp, 4H); 31P{1H} NMR (121 MHz, CDCl3): δ 28.16 (s, P); 19F{1H} NMR (282 MHz, CDCl3): δ -135.08 (d, 3JFo-Fm = 22.01 Hz, o-F), -164.56 (t, 3JFm-Fp= 22.01 Hz, p-F), -166.87 (m, 4JFo-Fp= 4.79, m-F). |
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 | ||
Pt1 | 0.727145 (10) | 0.134195 (9) | 0.480976 (11) | 0.03303 (6) | |
Fe1 | 0.17062 (4) | 0.45798 (3) | 0.53480 (4) | 0.03746 (18) | |
S1 | 0.82216 (8) | 0.13869 (6) | 0.58713 (8) | 0.0459 (4) | |
S2 | 0.76364 (8) | 0.21938 (7) | 0.42946 (9) | 0.0562 (4) | |
P1 | 0.70551 (7) | 0.04332 (6) | 0.52712 (7) | 0.0351 (3) | |
P2 | 0.62987 (7) | 0.13562 (6) | 0.38442 (7) | 0.0318 (3) | |
F1 | 0.95768 (17) | 0.19786 (15) | 0.64602 (19) | 0.0641 (10) | |
F2 | 0.98644 (19) | 0.31254 (17) | 0.6858 (2) | 0.0768 (11) | |
F3 | 0.8806 (2) | 0.39180 (16) | 0.6803 (2) | 0.0762 (11) | |
F4 | 0.7450 (2) | 0.35487 (18) | 0.6313 (2) | 0.0824 (12) | |
F5 | 0.71367 (18) | 0.24037 (16) | 0.5907 (2) | 0.0724 (11) | |
F6 | 0.8906 (2) | 0.13468 (16) | 0.4465 (2) | 0.0783 (12) | |
F7 | 1.0275 (2) | 0.1649 (2) | 0.4951 (3) | 0.1034 (16) | |
F8 | 1.0667 (2) | 0.2801 (2) | 0.5350 (2) | 0.1072 (16) | |
F9 | 0.9658 (2) | 0.36527 (19) | 0.5256 (2) | 0.0929 (14) | |
F10 | 0.82986 (19) | 0.33607 (15) | 0.4825 (2) | 0.0694 (10) | |
C1 | 0.6453 (3) | −0.0121 (2) | 0.4743 (3) | 0.0388 (13) | |
C2 | 0.5697 (3) | −0.0089 (3) | 0.4527 (3) | 0.0452 (14) | |
H2 | 0.5426 | 0.0227 | 0.4620 | 0.054* | |
C3 | 0.5435 (3) | −0.0621 (3) | 0.4147 (3) | 0.0540 (16) | |
H3 | 0.4960 | −0.0715 | 0.3947 | 0.065* | |
C4 | 0.6004 (4) | −0.0981 (3) | 0.4121 (3) | 0.0569 (17) | |
H4 | 0.5973 | −0.1355 | 0.3898 | 0.068* | |
C5 | 0.6637 (3) | −0.0683 (2) | 0.4488 (3) | 0.0487 (15) | |
H5 | 0.7094 | −0.0828 | 0.4552 | 0.058* | |
C6 | 0.6155 (3) | 0.0680 (2) | 0.3313 (3) | 0.0346 (12) | |
C7 | 0.6712 (3) | 0.0305 (2) | 0.3224 (3) | 0.0432 (14) | |
H7 | 0.7194 | 0.0373 | 0.3419 | 0.052* | |
C8 | 0.6407 (3) | −0.0184 (3) | 0.2792 (3) | 0.0515 (16) | |
H8 | 0.6654 | −0.0496 | 0.2653 | 0.062* | |
C9 | 0.5674 (3) | −0.0127 (3) | 0.2602 (3) | 0.0533 (16) | |
H9 | 0.5349 | −0.0396 | 0.2323 | 0.064* | |
C10 | 0.5510 (3) | 0.0409 (2) | 0.2904 (3) | 0.0402 (13) | |
H10 | 0.5058 | 0.0562 | 0.2848 | 0.048* | |
C11 | 0.7905 (3) | 0.0040 (2) | 0.5516 (3) | 0.0372 (12) | |
C12 | 0.8186 (3) | −0.0249 (2) | 0.6149 (3) | 0.0506 (15) | |
H12 | 0.7922 | −0.0277 | 0.6468 | 0.061* | |
C13 | 0.8855 (3) | −0.0500 (3) | 0.6319 (3) | 0.0603 (18) | |
H13 | 0.9038 | −0.0686 | 0.6756 | 0.072* | |
C14 | 0.9250 (3) | −0.0480 (3) | 0.5857 (3) | 0.0542 (16) | |
H14 | 0.9696 | −0.0656 | 0.5971 | 0.065* | |
C15 | 0.8977 (3) | −0.0196 (3) | 0.5223 (3) | 0.0507 (15) | |
H15 | 0.9241 | −0.0178 | 0.4902 | 0.061* | |
C16 | 0.8312 (3) | 0.0065 (3) | 0.5053 (3) | 0.0479 (15) | |
H16 | 0.8137 | 0.0261 | 0.4621 | 0.057* | |
C17 | 0.6757 (3) | 0.0412 (2) | 0.6065 (3) | 0.0414 (13) | |
C18 | 0.6745 (3) | 0.0918 (3) | 0.6460 (3) | 0.0515 (15) | |
H18 | 0.6870 | 0.1293 | 0.6319 | 0.062* | |
C19 | 0.6541 (3) | 0.0863 (4) | 0.7087 (3) | 0.0648 (18) | |
H19 | 0.6528 | 0.1205 | 0.7358 | 0.078* | |
C20 | 0.6365 (3) | 0.0318 (4) | 0.7293 (3) | 0.0650 (19) | |
H20 | 0.6229 | 0.0288 | 0.7705 | 0.078* | |
C21 | 0.6381 (3) | −0.0191 (3) | 0.6908 (4) | 0.0668 (19) | |
H21 | 0.6275 | −0.0568 | 0.7062 | 0.080* | |
C22 | 0.6560 (3) | −0.0137 (3) | 0.6282 (3) | 0.0577 (17) | |
H22 | 0.6546 | −0.0478 | 0.6003 | 0.069* | |
C23 | 0.5504 (3) | 0.1524 (2) | 0.4103 (3) | 0.0348 (12) | |
C24 | 0.5558 (3) | 0.1655 (2) | 0.4791 (3) | 0.0463 (14) | |
H24 | 0.5993 | 0.1619 | 0.5132 | 0.056* | |
C25 | 0.4969 (4) | 0.1842 (3) | 0.4987 (4) | 0.0628 (18) | |
H25 | 0.5012 | 0.1932 | 0.5457 | 0.075* | |
C26 | 0.4324 (4) | 0.1895 (3) | 0.4484 (4) | 0.0671 (19) | |
H26 | 0.3927 | 0.2015 | 0.4612 | 0.080* | |
C27 | 0.4273 (3) | 0.1767 (3) | 0.3794 (4) | 0.0649 (18) | |
H27 | 0.3836 | 0.1801 | 0.3454 | 0.078* | |
C28 | 0.4849 (3) | 0.1592 (3) | 0.3596 (3) | 0.0511 (15) | |
H28 | 0.4805 | 0.1517 | 0.3122 | 0.061* | |
C29 | 0.6270 (3) | 0.1936 (2) | 0.3185 (3) | 0.0382 (13) | |
C30 | 0.6488 (3) | 0.1809 (3) | 0.2598 (3) | 0.0445 (14) | |
H30 | 0.6646 | 0.1421 | 0.2539 | 0.053* | |
C31 | 0.6475 (3) | 0.2245 (3) | 0.2097 (3) | 0.0561 (17) | |
H31 | 0.6624 | 0.2152 | 0.1704 | 0.067* | |
C32 | 0.6238 (3) | 0.2824 (3) | 0.2182 (4) | 0.0620 (18) | |
H32 | 0.6225 | 0.3121 | 0.1844 | 0.074* | |
C33 | 0.6024 (3) | 0.2957 (3) | 0.2762 (4) | 0.0588 (18) | |
H33 | 0.5872 | 0.3347 | 0.2819 | 0.071* | |
C34 | 0.6031 (3) | 0.2520 (2) | 0.3271 (3) | 0.0471 (15) | |
H34 | 0.5878 | 0.2614 | 0.3662 | 0.056* | |
C35 | 0.8349 (3) | 0.2138 (2) | 0.6154 (3) | 0.0420 (13) | |
C36 | 0.9030 (3) | 0.2347 (3) | 0.6428 (3) | 0.0468 (14) | |
C37 | 0.9195 (3) | 0.2935 (3) | 0.6645 (3) | 0.0502 (15) | |
C38 | 0.8659 (4) | 0.3338 (3) | 0.6601 (3) | 0.0527 (16) | |
C39 | 0.7967 (3) | 0.3147 (3) | 0.6354 (3) | 0.0563 (16) | |
C40 | 0.7826 (3) | 0.2565 (3) | 0.6142 (3) | 0.0513 (15) | |
C41 | 0.8544 (3) | 0.2333 (2) | 0.4645 (3) | 0.0412 (13) | |
C42 | 0.9070 (3) | 0.1916 (3) | 0.4672 (3) | 0.0516 (15) | |
C43 | 0.9781 (3) | 0.2071 (3) | 0.4921 (4) | 0.0612 (18) | |
C44 | 0.9976 (3) | 0.2645 (4) | 0.5115 (4) | 0.0639 (19) | |
C45 | 0.9474 (4) | 0.3077 (3) | 0.5066 (3) | 0.0635 (19) | |
C46 | 0.8774 (3) | 0.2920 (3) | 0.4846 (3) | 0.0453 (14) | |
Pt2 | 0.372198 (10) | 0.386613 (9) | 0.626326 (10) | 0.03166 (6) | |
Fe2 | 0.60739 (4) | −0.01482 (3) | 0.36821 (4) | 0.03734 (18) | |
S3 | 0.43158 (8) | 0.29486 (6) | 0.61708 (8) | 0.0477 (4) | |
S4 | 0.42426 (8) | 0.38830 (6) | 0.75055 (7) | 0.0454 (4) | |
P3 | 0.33145 (7) | 0.48088 (6) | 0.63851 (7) | 0.0312 (3) | |
P4 | 0.30609 (7) | 0.37185 (6) | 0.51091 (7) | 0.0351 (3) | |
F11 | 0.51871 (18) | 0.41557 (17) | 0.6348 (2) | 0.0701 (10) | |
F12 | 0.6527 (2) | 0.4312 (2) | 0.7056 (2) | 0.0908 (13) | |
F13 | 0.7336 (2) | 0.3366 (2) | 0.7709 (2) | 0.1076 (16) | |
F14 | 0.6760 (3) | 0.2251 (2) | 0.7611 (3) | 0.140 (2) | |
F15 | 0.5391 (2) | 0.20736 (18) | 0.6918 (2) | 0.0968 (15) | |
F16 | 0.54859 (19) | 0.31576 (17) | 0.83277 (19) | 0.0707 (10) | |
F17 | 0.5510 (2) | 0.20056 (19) | 0.8729 (3) | 0.1062 (16) | |
F18 | 0.4303 (3) | 0.13497 (17) | 0.8452 (2) | 0.1042 (16) | |
F19 | 0.3063 (2) | 0.1864 (2) | 0.7745 (3) | 0.1036 (15) | |
F20 | 0.30232 (19) | 0.30206 (18) | 0.7328 (2) | 0.0773 (12) | |
C47 | 0.2378 (3) | 0.4822 (2) | 0.6272 (3) | 0.0333 (12) | |
C48 | 0.1862 (3) | 0.5290 (2) | 0.6027 (3) | 0.0446 (14) | |
H48 | 0.1954 | 0.5689 | 0.5929 | 0.054* | |
C49 | 0.1191 (3) | 0.5037 (3) | 0.5960 (3) | 0.0503 (15) | |
H49 | 0.0762 | 0.5241 | 0.5804 | 0.060* | |
C50 | 0.1275 (3) | 0.4422 (3) | 0.6170 (3) | 0.0484 (15) | |
H50 | 0.0914 | 0.4155 | 0.6179 | 0.058* | |
C51 | 0.2003 (3) | 0.4288 (2) | 0.6361 (3) | 0.0390 (13) | |
H51 | 0.2206 | 0.3915 | 0.6520 | 0.047* | |
C52 | 0.2240 (3) | 0.4138 (2) | 0.4766 (3) | 0.0370 (12) | |
C53 | 0.2132 (3) | 0.4755 (3) | 0.4548 (3) | 0.0438 (14) | |
H53 | 0.2487 | 0.5034 | 0.4557 | 0.053* | |
C54 | 0.1398 (3) | 0.4871 (3) | 0.4316 (3) | 0.0537 (16) | |
H54 | 0.1187 | 0.5239 | 0.4147 | 0.064* | |
C55 | 0.1040 (3) | 0.4333 (3) | 0.4386 (3) | 0.0535 (16) | |
H55 | 0.0553 | 0.4286 | 0.4275 | 0.064* | |
C56 | 0.1549 (3) | 0.3878 (3) | 0.4652 (3) | 0.0437 (14) | |
H56 | 0.1453 | 0.3478 | 0.4739 | 0.052* | |
C57 | 0.3525 (3) | 0.5353 (2) | 0.5789 (3) | 0.0344 (12) | |
C58 | 0.3309 (3) | 0.5952 (2) | 0.5775 (3) | 0.0419 (13) | |
H58 | 0.3055 | 0.6080 | 0.6078 | 0.050* | |
C59 | 0.3469 (3) | 0.6363 (3) | 0.5313 (3) | 0.0520 (16) | |
H59 | 0.3311 | 0.6761 | 0.5298 | 0.062* | |
C60 | 0.3859 (3) | 0.6180 (3) | 0.4881 (3) | 0.0609 (18) | |
H60 | 0.3972 | 0.6457 | 0.4576 | 0.073* | |
C61 | 0.4087 (3) | 0.5589 (3) | 0.4892 (3) | 0.0600 (17) | |
H61 | 0.4345 | 0.5466 | 0.4590 | 0.072* | |
C62 | 0.3931 (3) | 0.5178 (3) | 0.5355 (3) | 0.0452 (14) | |
H62 | 0.4098 | 0.4783 | 0.5374 | 0.054* | |
C63 | 0.3723 (3) | 0.5174 (2) | 0.7231 (3) | 0.0359 (12) | |
C64 | 0.3355 (3) | 0.5285 (3) | 0.7711 (3) | 0.0532 (16) | |
H64 | 0.2879 | 0.5181 | 0.7603 | 0.064* | |
C65 | 0.3688 (4) | 0.5550 (3) | 0.8352 (3) | 0.068 (2) | |
H65 | 0.3435 | 0.5629 | 0.8672 | 0.082* | |
C66 | 0.4384 (4) | 0.5696 (3) | 0.8519 (3) | 0.068 (2) | |
H66 | 0.4605 | 0.5865 | 0.8959 | 0.081* | |
C67 | 0.4763 (4) | 0.5599 (2) | 0.8053 (3) | 0.0573 (17) | |
H67 | 0.5237 | 0.5710 | 0.8169 | 0.069* | |
C68 | 0.4440 (3) | 0.5332 (2) | 0.7401 (3) | 0.0430 (14) | |
H68 | 0.4697 | 0.5259 | 0.7082 | 0.052* | |
C69 | 0.2716 (3) | 0.2947 (2) | 0.5038 (3) | 0.0396 (13) | |
C70 | 0.2529 (3) | 0.2624 (3) | 0.4418 (3) | 0.0570 (17) | |
H70 | 0.2634 | 0.2783 | 0.4024 | 0.068* | |
C71 | 0.2190 (4) | 0.2070 (3) | 0.4363 (4) | 0.072 (2) | |
H71 | 0.2061 | 0.1865 | 0.3934 | 0.086* | |
C72 | 0.2046 (3) | 0.1825 (3) | 0.4938 (4) | 0.067 (2) | |
H72 | 0.1825 | 0.1450 | 0.4905 | 0.080* | |
C73 | 0.2226 (3) | 0.2135 (3) | 0.5566 (4) | 0.0641 (18) | |
H73 | 0.2115 | 0.1975 | 0.5956 | 0.077* | |
C74 | 0.2574 (3) | 0.2688 (3) | 0.5622 (3) | 0.0538 (16) | |
H74 | 0.2712 | 0.2887 | 0.6055 | 0.065* | |
C75 | 0.3463 (3) | 0.3776 (2) | 0.4390 (3) | 0.0428 (14) | |
C76 | 0.4149 (3) | 0.3611 (3) | 0.4478 (3) | 0.0655 (19) | |
H76 | 0.4428 | 0.3501 | 0.4926 | 0.079* | |
C77 | 0.4440 (4) | 0.3602 (4) | 0.3925 (4) | 0.087 (3) | |
H77 | 0.4905 | 0.3474 | 0.4000 | 0.105* | |
C78 | 0.4053 (4) | 0.3780 (4) | 0.3268 (4) | 0.086 (3) | |
H78 | 0.4252 | 0.3773 | 0.2895 | 0.103* | |
C79 | 0.3374 (5) | 0.3967 (4) | 0.3159 (4) | 0.105 (3) | |
H79 | 0.3108 | 0.4096 | 0.2714 | 0.126* | |
C80 | 0.3080 (4) | 0.3965 (4) | 0.3721 (4) | 0.089 (3) | |
H80 | 0.2615 | 0.4093 | 0.3645 | 0.107* | |
C81 | 0.5210 (3) | 0.3104 (3) | 0.6611 (3) | 0.0522 (16) | |
C82 | 0.5548 (3) | 0.3660 (3) | 0.6671 (3) | 0.0581 (17) | |
C83 | 0.6243 (4) | 0.3752 (4) | 0.7023 (4) | 0.0647 (19) | |
C84 | 0.6647 (4) | 0.3278 (4) | 0.7349 (4) | 0.077 (2) | |
C85 | 0.6359 (4) | 0.2720 (4) | 0.7300 (4) | 0.083 (2) | |
C86 | 0.5651 (4) | 0.2639 (3) | 0.6940 (4) | 0.071 (2) | |
C87 | 0.4257 (3) | 0.3122 (2) | 0.7783 (3) | 0.0405 (13) | |
C88 | 0.4871 (3) | 0.2845 (3) | 0.8161 (3) | 0.0486 (15) | |
C89 | 0.4894 (4) | 0.2248 (3) | 0.8372 (3) | 0.0645 (19) | |
C90 | 0.4286 (5) | 0.1923 (3) | 0.8236 (4) | 0.067 (2) | |
C91 | 0.3672 (4) | 0.2187 (3) | 0.7882 (3) | 0.0642 (19) | |
C92 | 0.3653 (3) | 0.2775 (3) | 0.7672 (3) | 0.0509 (15) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt1 | 0.03010 (12) | 0.03124 (12) | 0.03399 (12) | −0.00058 (8) | 0.00332 (9) | 0.00300 (9) |
Fe1 | 0.0321 (4) | 0.0388 (4) | 0.0403 (5) | 0.0021 (3) | 0.0086 (4) | −0.0013 (3) |
S1 | 0.0418 (9) | 0.0395 (8) | 0.0452 (9) | −0.0017 (6) | −0.0053 (7) | 0.0016 (6) |
S2 | 0.0408 (9) | 0.0515 (9) | 0.0626 (11) | −0.0106 (7) | −0.0068 (8) | 0.0232 (8) |
P1 | 0.0374 (8) | 0.0344 (8) | 0.0320 (8) | −0.0001 (6) | 0.0077 (6) | 0.0039 (6) |
P2 | 0.0314 (7) | 0.0309 (7) | 0.0309 (7) | 0.0021 (6) | 0.0054 (6) | 0.0009 (6) |
F1 | 0.041 (2) | 0.064 (2) | 0.076 (3) | 0.0068 (17) | −0.0013 (18) | −0.0134 (19) |
F2 | 0.050 (2) | 0.076 (3) | 0.089 (3) | −0.0130 (19) | −0.004 (2) | −0.020 (2) |
F3 | 0.094 (3) | 0.052 (2) | 0.072 (3) | −0.001 (2) | 0.009 (2) | −0.0172 (19) |
F4 | 0.075 (3) | 0.081 (3) | 0.087 (3) | 0.030 (2) | 0.017 (2) | −0.012 (2) |
F5 | 0.039 (2) | 0.074 (3) | 0.098 (3) | 0.0009 (18) | 0.011 (2) | −0.006 (2) |
F6 | 0.102 (3) | 0.046 (2) | 0.096 (3) | 0.000 (2) | 0.044 (3) | −0.002 (2) |
F7 | 0.075 (3) | 0.121 (4) | 0.129 (4) | 0.039 (3) | 0.052 (3) | 0.043 (3) |
F8 | 0.045 (3) | 0.169 (5) | 0.096 (3) | −0.027 (3) | 0.002 (2) | 0.032 (3) |
F9 | 0.094 (3) | 0.081 (3) | 0.094 (3) | −0.046 (2) | 0.012 (3) | −0.011 (2) |
F10 | 0.070 (3) | 0.045 (2) | 0.091 (3) | 0.0004 (18) | 0.020 (2) | 0.0072 (19) |
C1 | 0.040 (3) | 0.036 (3) | 0.040 (3) | −0.002 (2) | 0.011 (3) | 0.001 (2) |
C2 | 0.041 (3) | 0.051 (4) | 0.046 (4) | −0.007 (3) | 0.017 (3) | 0.009 (3) |
C3 | 0.052 (4) | 0.053 (4) | 0.051 (4) | −0.020 (3) | 0.005 (3) | 0.008 (3) |
C4 | 0.079 (5) | 0.034 (3) | 0.053 (4) | −0.013 (3) | 0.012 (4) | 0.003 (3) |
C5 | 0.053 (4) | 0.034 (3) | 0.059 (4) | 0.002 (3) | 0.016 (3) | 0.008 (3) |
C6 | 0.036 (3) | 0.032 (3) | 0.036 (3) | 0.003 (2) | 0.010 (2) | 0.004 (2) |
C7 | 0.047 (4) | 0.044 (3) | 0.044 (3) | −0.003 (3) | 0.020 (3) | 0.000 (3) |
C8 | 0.066 (5) | 0.046 (4) | 0.050 (4) | 0.000 (3) | 0.030 (3) | −0.009 (3) |
C9 | 0.065 (4) | 0.053 (4) | 0.039 (4) | −0.013 (3) | 0.009 (3) | −0.011 (3) |
C10 | 0.039 (3) | 0.045 (3) | 0.031 (3) | −0.004 (2) | 0.002 (2) | −0.001 (2) |
C11 | 0.035 (3) | 0.034 (3) | 0.038 (3) | −0.001 (2) | 0.004 (3) | 0.003 (2) |
C12 | 0.050 (4) | 0.049 (4) | 0.054 (4) | 0.006 (3) | 0.016 (3) | 0.013 (3) |
C13 | 0.052 (4) | 0.058 (4) | 0.059 (4) | 0.016 (3) | −0.002 (3) | 0.014 (3) |
C14 | 0.042 (4) | 0.049 (4) | 0.063 (4) | 0.012 (3) | 0.001 (3) | −0.005 (3) |
C15 | 0.041 (4) | 0.053 (4) | 0.059 (4) | 0.005 (3) | 0.015 (3) | −0.008 (3) |
C16 | 0.045 (4) | 0.052 (4) | 0.040 (3) | 0.004 (3) | 0.002 (3) | 0.002 (3) |
C17 | 0.038 (3) | 0.049 (4) | 0.035 (3) | −0.002 (3) | 0.008 (3) | 0.004 (3) |
C18 | 0.048 (4) | 0.059 (4) | 0.043 (4) | 0.006 (3) | 0.006 (3) | 0.002 (3) |
C19 | 0.061 (4) | 0.089 (5) | 0.044 (4) | 0.001 (4) | 0.015 (3) | −0.013 (4) |
C20 | 0.060 (5) | 0.094 (6) | 0.047 (4) | −0.002 (4) | 0.026 (3) | 0.007 (4) |
C21 | 0.065 (5) | 0.077 (5) | 0.065 (5) | −0.007 (4) | 0.029 (4) | 0.019 (4) |
C22 | 0.066 (4) | 0.059 (4) | 0.051 (4) | −0.007 (3) | 0.020 (3) | 0.010 (3) |
C23 | 0.033 (3) | 0.037 (3) | 0.035 (3) | 0.003 (2) | 0.011 (2) | −0.002 (2) |
C24 | 0.048 (4) | 0.046 (3) | 0.045 (4) | 0.009 (3) | 0.013 (3) | −0.002 (3) |
C25 | 0.073 (5) | 0.073 (5) | 0.055 (4) | 0.013 (4) | 0.040 (4) | 0.004 (3) |
C26 | 0.054 (5) | 0.064 (5) | 0.091 (6) | 0.017 (3) | 0.034 (4) | 0.001 (4) |
C27 | 0.041 (4) | 0.079 (5) | 0.070 (5) | 0.008 (3) | 0.010 (3) | −0.008 (4) |
C28 | 0.042 (4) | 0.057 (4) | 0.051 (4) | 0.005 (3) | 0.008 (3) | −0.007 (3) |
C29 | 0.031 (3) | 0.036 (3) | 0.042 (3) | −0.004 (2) | 0.002 (3) | 0.007 (2) |
C30 | 0.041 (3) | 0.049 (3) | 0.045 (4) | 0.009 (3) | 0.015 (3) | 0.011 (3) |
C31 | 0.049 (4) | 0.073 (5) | 0.049 (4) | 0.012 (3) | 0.018 (3) | 0.023 (3) |
C32 | 0.063 (4) | 0.058 (4) | 0.063 (5) | 0.004 (3) | 0.015 (4) | 0.030 (3) |
C33 | 0.058 (4) | 0.034 (3) | 0.071 (5) | 0.003 (3) | −0.004 (4) | 0.009 (3) |
C34 | 0.054 (4) | 0.041 (3) | 0.040 (3) | 0.006 (3) | 0.002 (3) | 0.002 (3) |
C35 | 0.043 (4) | 0.044 (3) | 0.034 (3) | 0.002 (3) | 0.004 (3) | 0.004 (2) |
C36 | 0.042 (4) | 0.052 (4) | 0.042 (3) | 0.006 (3) | 0.005 (3) | −0.003 (3) |
C37 | 0.042 (4) | 0.059 (4) | 0.038 (3) | −0.006 (3) | −0.005 (3) | −0.012 (3) |
C38 | 0.066 (5) | 0.043 (4) | 0.044 (4) | −0.002 (3) | 0.008 (3) | −0.007 (3) |
C39 | 0.057 (4) | 0.058 (4) | 0.052 (4) | 0.016 (3) | 0.013 (3) | 0.000 (3) |
C40 | 0.036 (4) | 0.060 (4) | 0.051 (4) | 0.000 (3) | 0.000 (3) | 0.002 (3) |
C41 | 0.036 (3) | 0.045 (3) | 0.039 (3) | −0.007 (3) | 0.006 (3) | 0.010 (3) |
C42 | 0.061 (4) | 0.049 (4) | 0.048 (4) | −0.001 (3) | 0.022 (3) | 0.006 (3) |
C43 | 0.048 (4) | 0.072 (5) | 0.070 (5) | 0.019 (4) | 0.028 (4) | 0.020 (4) |
C44 | 0.036 (4) | 0.090 (6) | 0.060 (4) | −0.015 (4) | 0.005 (3) | 0.016 (4) |
C45 | 0.066 (5) | 0.060 (4) | 0.058 (4) | −0.029 (4) | 0.009 (4) | 0.003 (3) |
C46 | 0.041 (4) | 0.044 (4) | 0.051 (4) | −0.004 (3) | 0.013 (3) | 0.010 (3) |
Pt2 | 0.03272 (12) | 0.03065 (11) | 0.02959 (12) | 0.00211 (8) | 0.00581 (9) | −0.00047 (8) |
Fe2 | 0.0384 (5) | 0.0340 (4) | 0.0393 (5) | −0.0037 (3) | 0.0108 (4) | −0.0007 (3) |
S3 | 0.0498 (9) | 0.0456 (9) | 0.0431 (9) | 0.0155 (7) | 0.0061 (7) | −0.0049 (7) |
S4 | 0.0623 (10) | 0.0345 (8) | 0.0332 (8) | 0.0027 (7) | 0.0041 (7) | 0.0010 (6) |
P3 | 0.0327 (8) | 0.0292 (7) | 0.0310 (7) | −0.0012 (5) | 0.0079 (6) | 0.0003 (5) |
P4 | 0.0326 (8) | 0.0397 (8) | 0.0316 (8) | 0.0002 (6) | 0.0072 (6) | −0.0038 (6) |
F11 | 0.055 (2) | 0.079 (3) | 0.080 (3) | 0.002 (2) | 0.025 (2) | 0.023 (2) |
F12 | 0.066 (3) | 0.123 (4) | 0.087 (3) | −0.021 (3) | 0.028 (2) | −0.005 (3) |
F13 | 0.058 (3) | 0.175 (5) | 0.074 (3) | 0.013 (3) | −0.007 (2) | −0.019 (3) |
F14 | 0.117 (4) | 0.124 (4) | 0.126 (4) | 0.072 (3) | −0.050 (3) | −0.020 (3) |
F15 | 0.109 (4) | 0.062 (3) | 0.092 (3) | 0.034 (2) | −0.014 (3) | −0.011 (2) |
F16 | 0.055 (2) | 0.077 (3) | 0.065 (2) | −0.005 (2) | −0.0085 (19) | 0.010 (2) |
F17 | 0.099 (4) | 0.079 (3) | 0.116 (4) | 0.038 (3) | −0.009 (3) | 0.034 (3) |
F18 | 0.169 (5) | 0.041 (2) | 0.099 (3) | 0.003 (3) | 0.035 (3) | 0.017 (2) |
F19 | 0.099 (4) | 0.089 (3) | 0.116 (4) | −0.043 (3) | 0.021 (3) | 0.018 (3) |
F20 | 0.046 (2) | 0.095 (3) | 0.088 (3) | 0.001 (2) | 0.015 (2) | 0.029 (2) |
C47 | 0.034 (3) | 0.033 (3) | 0.034 (3) | −0.001 (2) | 0.011 (2) | −0.002 (2) |
C48 | 0.049 (4) | 0.041 (3) | 0.043 (3) | 0.004 (3) | 0.013 (3) | −0.003 (3) |
C49 | 0.034 (3) | 0.063 (4) | 0.057 (4) | 0.009 (3) | 0.018 (3) | −0.012 (3) |
C50 | 0.042 (4) | 0.057 (4) | 0.052 (4) | −0.007 (3) | 0.023 (3) | −0.005 (3) |
C51 | 0.040 (3) | 0.040 (3) | 0.038 (3) | −0.003 (2) | 0.014 (3) | −0.001 (2) |
C52 | 0.033 (3) | 0.043 (3) | 0.031 (3) | 0.004 (2) | 0.003 (2) | −0.002 (2) |
C53 | 0.044 (4) | 0.052 (4) | 0.034 (3) | −0.001 (3) | 0.009 (3) | 0.006 (3) |
C54 | 0.057 (4) | 0.063 (4) | 0.033 (3) | 0.016 (3) | −0.001 (3) | 0.011 (3) |
C55 | 0.041 (4) | 0.065 (4) | 0.048 (4) | 0.004 (3) | 0.001 (3) | −0.002 (3) |
C56 | 0.037 (3) | 0.045 (3) | 0.044 (3) | 0.001 (3) | 0.003 (3) | −0.009 (3) |
C57 | 0.035 (3) | 0.036 (3) | 0.030 (3) | −0.001 (2) | 0.005 (2) | −0.002 (2) |
C58 | 0.038 (3) | 0.042 (3) | 0.045 (3) | 0.003 (2) | 0.010 (3) | 0.001 (3) |
C59 | 0.056 (4) | 0.041 (3) | 0.053 (4) | −0.002 (3) | 0.006 (3) | 0.013 (3) |
C60 | 0.062 (4) | 0.068 (5) | 0.056 (4) | −0.011 (3) | 0.022 (4) | 0.024 (3) |
C61 | 0.066 (5) | 0.068 (5) | 0.058 (4) | −0.008 (4) | 0.035 (4) | 0.000 (3) |
C62 | 0.037 (3) | 0.047 (4) | 0.050 (4) | −0.005 (3) | 0.010 (3) | 0.002 (3) |
C63 | 0.044 (3) | 0.024 (3) | 0.035 (3) | 0.002 (2) | 0.003 (3) | 0.007 (2) |
C64 | 0.066 (4) | 0.054 (4) | 0.041 (4) | 0.002 (3) | 0.019 (3) | −0.003 (3) |
C65 | 0.094 (6) | 0.066 (5) | 0.042 (4) | 0.004 (4) | 0.015 (4) | −0.009 (3) |
C66 | 0.102 (6) | 0.041 (4) | 0.042 (4) | −0.002 (4) | −0.007 (4) | −0.004 (3) |
C67 | 0.071 (5) | 0.032 (3) | 0.059 (4) | −0.002 (3) | 0.003 (4) | 0.001 (3) |
C68 | 0.052 (4) | 0.032 (3) | 0.042 (3) | −0.006 (3) | 0.010 (3) | 0.003 (2) |
C69 | 0.030 (3) | 0.038 (3) | 0.048 (4) | 0.004 (2) | 0.007 (3) | −0.008 (3) |
C70 | 0.058 (4) | 0.054 (4) | 0.050 (4) | −0.005 (3) | 0.002 (3) | −0.018 (3) |
C71 | 0.056 (5) | 0.070 (5) | 0.076 (5) | 0.001 (4) | −0.004 (4) | −0.033 (4) |
C72 | 0.044 (4) | 0.040 (4) | 0.108 (6) | 0.003 (3) | 0.010 (4) | −0.012 (4) |
C73 | 0.068 (5) | 0.038 (4) | 0.086 (5) | −0.001 (3) | 0.023 (4) | 0.001 (3) |
C74 | 0.058 (4) | 0.042 (4) | 0.059 (4) | −0.009 (3) | 0.014 (3) | −0.005 (3) |
C75 | 0.037 (3) | 0.053 (4) | 0.038 (3) | −0.006 (3) | 0.009 (3) | −0.007 (3) |
C76 | 0.038 (4) | 0.117 (6) | 0.041 (4) | 0.012 (4) | 0.010 (3) | 0.005 (4) |
C77 | 0.042 (4) | 0.162 (8) | 0.066 (5) | 0.003 (5) | 0.027 (4) | 0.001 (5) |
C78 | 0.064 (5) | 0.152 (8) | 0.050 (5) | −0.012 (5) | 0.030 (4) | −0.013 (5) |
C79 | 0.086 (6) | 0.188 (10) | 0.047 (5) | 0.033 (6) | 0.031 (4) | 0.020 (5) |
C80 | 0.054 (5) | 0.164 (8) | 0.051 (5) | 0.027 (5) | 0.017 (4) | 0.013 (5) |
C81 | 0.054 (4) | 0.060 (4) | 0.040 (4) | 0.020 (3) | 0.010 (3) | −0.005 (3) |
C82 | 0.053 (4) | 0.073 (5) | 0.052 (4) | 0.014 (4) | 0.022 (3) | 0.003 (3) |
C83 | 0.052 (4) | 0.092 (6) | 0.053 (4) | 0.006 (4) | 0.021 (4) | 0.001 (4) |
C84 | 0.042 (4) | 0.123 (7) | 0.054 (5) | 0.018 (5) | −0.004 (3) | −0.019 (5) |
C85 | 0.071 (6) | 0.090 (6) | 0.069 (5) | 0.039 (5) | −0.010 (4) | −0.010 (4) |
C86 | 0.081 (5) | 0.053 (4) | 0.065 (5) | 0.024 (4) | 0.001 (4) | −0.016 (4) |
C87 | 0.051 (4) | 0.037 (3) | 0.032 (3) | 0.005 (3) | 0.009 (3) | 0.001 (2) |
C88 | 0.054 (4) | 0.047 (4) | 0.037 (3) | 0.003 (3) | 0.002 (3) | 0.005 (3) |
C89 | 0.069 (5) | 0.055 (4) | 0.054 (4) | 0.019 (4) | −0.006 (4) | 0.015 (3) |
C90 | 0.108 (7) | 0.035 (4) | 0.053 (4) | 0.004 (4) | 0.016 (4) | 0.010 (3) |
C91 | 0.087 (6) | 0.049 (4) | 0.054 (4) | −0.022 (4) | 0.016 (4) | −0.001 (3) |
C92 | 0.056 (4) | 0.055 (4) | 0.041 (4) | 0.001 (3) | 0.012 (3) | 0.006 (3) |
Pt1—P2 | 2.2833 (13) | C36—C37 | 1.377 (8) |
Pt1—P1 | 2.2951 (13) | C37—C38 | 1.366 (8) |
Pt1—S2 | 2.3495 (14) | C38—C39 | 1.378 (8) |
Pt1—S1 | 2.3783 (14) | C39—C40 | 1.354 (8) |
Fe1—C47 | 1.995 (5) | C41—C42 | 1.378 (8) |
Fe1—C52 | 2.021 (5) | C41—C46 | 1.392 (7) |
Fe1—C51 | 2.023 (5) | C42—C43 | 1.391 (9) |
Fe1—C48 | 2.029 (5) | C43—C44 | 1.348 (9) |
Fe1—C53 | 2.031 (5) | C44—C45 | 1.359 (9) |
Fe1—C56 | 2.035 (5) | C45—C46 | 1.367 (8) |
Fe1—C55 | 2.048 (6) | Pt2—P3 | 2.2696 (13) |
Fe1—C54 | 2.055 (5) | Pt2—P4 | 2.3006 (14) |
Fe1—C49 | 2.057 (5) | Pt2—S4 | 2.3724 (14) |
Fe1—C50 | 2.070 (5) | Pt2—S3 | 2.3744 (14) |
S1—C35 | 1.744 (5) | S3—C81 | 1.762 (6) |
S2—C41 | 1.752 (5) | S4—C87 | 1.766 (5) |
P1—C1 | 1.812 (5) | P3—C47 | 1.798 (5) |
P1—C11 | 1.826 (5) | P3—C57 | 1.814 (5) |
P1—C17 | 1.830 (5) | P3—C63 | 1.822 (5) |
P2—C6 | 1.800 (5) | P4—C52 | 1.819 (5) |
P2—C29 | 1.816 (5) | P4—C75 | 1.823 (6) |
P2—C23 | 1.823 (5) | P4—C69 | 1.826 (5) |
F1—C36 | 1.338 (6) | F11—C82 | 1.361 (7) |
F2—C37 | 1.334 (6) | F12—C83 | 1.352 (8) |
F3—C38 | 1.348 (6) | F13—C84 | 1.355 (7) |
F4—C39 | 1.338 (6) | F14—C85 | 1.339 (8) |
F5—C40 | 1.352 (6) | F15—C86 | 1.346 (8) |
F6—C42 | 1.332 (6) | F16—C88 | 1.351 (6) |
F7—C43 | 1.338 (7) | F17—C89 | 1.330 (7) |
F8—C44 | 1.352 (7) | F18—C90 | 1.333 (7) |
F9—C45 | 1.345 (7) | F19—C91 | 1.356 (7) |
F10—C46 | 1.345 (6) | F20—C92 | 1.347 (7) |
C1—C5 | 1.426 (7) | C47—C51 | 1.429 (7) |
C1—C2 | 1.430 (7) | C47—C48 | 1.434 (7) |
C1—Fe2 | 2.014 (5) | C48—C49 | 1.409 (7) |
C2—C3 | 1.408 (8) | C48—H48 | 0.9300 |
C2—Fe2 | 2.019 (5) | C49—C50 | 1.414 (8) |
C2—H2 | 0.9300 | C49—H49 | 0.9300 |
C3—C4 | 1.389 (8) | C50—C51 | 1.409 (7) |
C3—Fe2 | 2.048 (6) | C50—H50 | 0.9300 |
C3—H3 | 0.9300 | C51—H51 | 0.9300 |
C4—C5 | 1.414 (8) | C52—C53 | 1.426 (7) |
C4—Fe2 | 2.054 (6) | C52—C56 | 1.437 (7) |
C4—H4 | 0.9300 | C53—C54 | 1.412 (7) |
C5—Fe2 | 2.036 (6) | C53—H53 | 0.9300 |
C5—H5 | 0.9300 | C54—C55 | 1.409 (8) |
C6—C7 | 1.428 (7) | C54—H54 | 0.9300 |
C6—C10 | 1.428 (7) | C55—C56 | 1.410 (7) |
C6—Fe2 | 1.993 (5) | C55—H55 | 0.9300 |
C7—C8 | 1.400 (7) | C56—H56 | 0.9300 |
C7—Fe2 | 2.017 (5) | C57—C58 | 1.387 (7) |
C7—H7 | 0.9300 | C57—C62 | 1.388 (7) |
C8—C9 | 1.392 (8) | C58—C59 | 1.385 (7) |
C8—Fe2 | 2.051 (6) | C58—H58 | 0.9300 |
C8—H8 | 0.9300 | C59—C60 | 1.366 (8) |
C9—C10 | 1.406 (7) | C59—H59 | 0.9300 |
C9—Fe2 | 2.052 (6) | C60—C61 | 1.379 (8) |
C9—H9 | 0.9300 | C60—H60 | 0.9300 |
C10—Fe2 | 2.032 (5) | C61—C62 | 1.385 (8) |
C10—H10 | 0.9300 | C61—H61 | 0.9300 |
C11—C12 | 1.371 (7) | C62—H62 | 0.9300 |
C11—C16 | 1.383 (7) | C63—C64 | 1.374 (7) |
C12—C13 | 1.381 (8) | C63—C68 | 1.400 (7) |
C12—H12 | 0.9300 | C64—C65 | 1.378 (8) |
C13—C14 | 1.364 (8) | C64—H64 | 0.9300 |
C13—H13 | 0.9300 | C65—C66 | 1.355 (9) |
C14—C15 | 1.364 (8) | C65—H65 | 0.9300 |
C14—H14 | 0.9300 | C66—C67 | 1.363 (9) |
C15—C16 | 1.383 (7) | C66—H66 | 0.9300 |
C15—H15 | 0.9300 | C67—C68 | 1.393 (8) |
C16—H16 | 0.9300 | C67—H67 | 0.9300 |
C17—C18 | 1.367 (7) | C68—H68 | 0.9300 |
C17—C22 | 1.378 (7) | C69—C70 | 1.373 (7) |
C18—C19 | 1.415 (8) | C69—C74 | 1.386 (8) |
C18—H18 | 0.9300 | C70—C71 | 1.385 (9) |
C19—C20 | 1.349 (9) | C70—H70 | 0.9300 |
C19—H19 | 0.9300 | C71—C72 | 1.361 (10) |
C20—C21 | 1.364 (9) | C71—H71 | 0.9300 |
C20—H20 | 0.9300 | C72—C73 | 1.372 (9) |
C21—C22 | 1.386 (8) | C72—H72 | 0.9300 |
C21—H21 | 0.9300 | C73—C74 | 1.389 (8) |
C22—H22 | 0.9300 | C73—H73 | 0.9300 |
C23—C24 | 1.364 (7) | C74—H74 | 0.9300 |
C23—C28 | 1.397 (7) | C75—C76 | 1.365 (8) |
C24—C25 | 1.390 (8) | C75—C80 | 1.383 (8) |
C24—H24 | 0.9300 | C76—C77 | 1.374 (8) |
C25—C26 | 1.376 (9) | C76—H76 | 0.9300 |
C25—H25 | 0.9300 | C77—C78 | 1.360 (10) |
C26—C27 | 1.367 (9) | C77—H77 | 0.9300 |
C26—H26 | 0.9300 | C78—C79 | 1.361 (10) |
C27—C28 | 1.362 (8) | C78—H78 | 0.9300 |
C27—H27 | 0.9300 | C79—C80 | 1.394 (9) |
C28—H28 | 0.9300 | C79—H79 | 0.9300 |
C29—C30 | 1.379 (7) | C80—H80 | 0.9300 |
C29—C34 | 1.400 (7) | C81—C86 | 1.381 (8) |
C30—C31 | 1.376 (7) | C81—C82 | 1.386 (9) |
C30—H30 | 0.9300 | C82—C83 | 1.362 (9) |
C31—C32 | 1.389 (8) | C83—C84 | 1.360 (10) |
C31—H31 | 0.9300 | C84—C85 | 1.348 (11) |
C32—C33 | 1.363 (9) | C85—C86 | 1.386 (10) |
C32—H32 | 0.9300 | C87—C88 | 1.372 (7) |
C33—C34 | 1.391 (8) | C87—C92 | 1.380 (8) |
C33—H33 | 0.9300 | C88—C89 | 1.380 (8) |
C34—H34 | 0.9300 | C89—C90 | 1.356 (9) |
C35—C36 | 1.376 (8) | C90—C91 | 1.345 (9) |
C35—C40 | 1.396 (8) | C91—C92 | 1.360 (8) |
P2—Pt1—P1 | 97.82 (5) | P3—Pt2—P4 | 96.79 (5) |
P2—Pt1—S2 | 85.18 (5) | P3—Pt2—S4 | 86.36 (5) |
P1—Pt1—S2 | 171.16 (6) | P4—Pt2—S4 | 168.65 (5) |
P2—Pt1—S1 | 174.45 (5) | P3—Pt2—S3 | 171.50 (5) |
P1—Pt1—S1 | 82.87 (5) | P4—Pt2—S3 | 87.36 (5) |
S2—Pt1—S1 | 94.95 (5) | S4—Pt2—S3 | 90.99 (5) |
C47—Fe1—C52 | 109.4 (2) | C6—Fe2—C1 | 108.0 (2) |
C47—Fe1—C51 | 41.65 (19) | C6—Fe2—C7 | 41.7 (2) |
C52—Fe1—C51 | 111.1 (2) | C1—Fe2—C7 | 111.1 (2) |
C47—Fe1—C48 | 41.7 (2) | C6—Fe2—C2 | 109.3 (2) |
C52—Fe1—C48 | 138.2 (2) | C1—Fe2—C2 | 41.5 (2) |
C51—Fe1—C48 | 69.3 (2) | C7—Fe2—C2 | 140.0 (2) |
C47—Fe1—C53 | 110.3 (2) | C6—Fe2—C10 | 41.55 (19) |
C52—Fe1—C53 | 41.2 (2) | C1—Fe2—C10 | 136.6 (2) |
C51—Fe1—C53 | 139.9 (2) | C7—Fe2—C10 | 68.7 (2) |
C48—Fe1—C53 | 110.5 (2) | C2—Fe2—C10 | 109.5 (2) |
C47—Fe1—C56 | 138.9 (2) | C6—Fe2—C5 | 137.3 (2) |
C52—Fe1—C56 | 41.5 (2) | C1—Fe2—C5 | 41.2 (2) |
C51—Fe1—C56 | 111.8 (2) | C7—Fe2—C5 | 111.6 (2) |
C48—Fe1—C56 | 178.9 (2) | C2—Fe2—C5 | 68.8 (2) |
C53—Fe1—C56 | 68.6 (2) | C10—Fe2—C5 | 177.9 (2) |
C47—Fe1—C55 | 178.3 (2) | C6—Fe2—C3 | 139.2 (2) |
C52—Fe1—C55 | 69.1 (2) | C1—Fe2—C3 | 68.9 (2) |
C51—Fe1—C55 | 139.4 (2) | C7—Fe2—C3 | 179.1 (2) |
C48—Fe1—C55 | 138.9 (2) | C2—Fe2—C3 | 40.5 (2) |
C53—Fe1—C55 | 68.1 (2) | C10—Fe2—C3 | 112.0 (2) |
C56—Fe1—C55 | 40.4 (2) | C5—Fe2—C3 | 67.7 (2) |
C47—Fe1—C54 | 138.8 (2) | C6—Fe2—C8 | 69.0 (2) |
C52—Fe1—C54 | 68.9 (2) | C1—Fe2—C8 | 141.3 (2) |
C51—Fe1—C54 | 179.6 (3) | C7—Fe2—C8 | 40.3 (2) |
C48—Fe1—C54 | 111.0 (2) | C2—Fe2—C8 | 176.8 (2) |
C53—Fe1—C54 | 40.4 (2) | C10—Fe2—C8 | 67.4 (2) |
C56—Fe1—C54 | 67.9 (2) | C5—Fe2—C8 | 114.3 (2) |
C55—Fe1—C54 | 40.2 (2) | C3—Fe2—C8 | 139.2 (2) |
C47—Fe1—C49 | 68.9 (2) | C6—Fe2—C9 | 69.2 (2) |
C52—Fe1—C49 | 178.3 (2) | C1—Fe2—C9 | 176.8 (2) |
C51—Fe1—C49 | 67.9 (2) | C7—Fe2—C9 | 67.9 (2) |
C48—Fe1—C49 | 40.3 (2) | C2—Fe2—C9 | 137.4 (2) |
C53—Fe1—C49 | 138.7 (2) | C10—Fe2—C9 | 40.3 (2) |
C56—Fe1—C49 | 140.0 (2) | C5—Fe2—C9 | 141.9 (2) |
C55—Fe1—C49 | 112.5 (2) | C3—Fe2—C9 | 112.2 (2) |
C54—Fe1—C49 | 112.1 (2) | C8—Fe2—C9 | 39.7 (2) |
C47—Fe1—C50 | 69.0 (2) | C6—Fe2—C4 | 176.6 (2) |
C52—Fe1—C50 | 140.0 (2) | C1—Fe2—C4 | 68.7 (2) |
C51—Fe1—C50 | 40.2 (2) | C7—Fe2—C4 | 139.5 (3) |
C48—Fe1—C50 | 68.2 (2) | C2—Fe2—C4 | 67.8 (2) |
C53—Fe1—C50 | 178.7 (2) | C10—Fe2—C4 | 140.6 (2) |
C56—Fe1—C50 | 112.7 (2) | C5—Fe2—C4 | 40.4 (2) |
C55—Fe1—C50 | 112.6 (2) | C3—Fe2—C4 | 39.6 (2) |
C54—Fe1—C50 | 139.5 (2) | C8—Fe2—C4 | 113.9 (2) |
C49—Fe1—C50 | 40.1 (2) | C9—Fe2—C4 | 114.0 (2) |
C35—S1—Pt1 | 109.06 (19) | C81—S3—Pt2 | 104.0 (2) |
C41—S2—Pt1 | 112.09 (18) | C87—S4—Pt2 | 105.65 (18) |
C1—P1—C11 | 103.4 (2) | C47—P3—C57 | 109.3 (2) |
C1—P1—C17 | 99.0 (2) | C47—P3—C63 | 105.9 (2) |
C11—P1—C17 | 105.0 (2) | C57—P3—C63 | 100.3 (2) |
C1—P1—Pt1 | 121.89 (17) | C47—P3—Pt2 | 112.64 (16) |
C11—P1—Pt1 | 104.99 (17) | C57—P3—Pt2 | 112.61 (17) |
C17—P1—Pt1 | 120.44 (18) | C63—P3—Pt2 | 115.30 (16) |
C6—P2—C29 | 101.5 (2) | C52—P4—C75 | 102.5 (2) |
C6—P2—C23 | 109.2 (2) | C52—P4—C69 | 100.0 (2) |
C29—P2—C23 | 101.9 (2) | C75—P4—C69 | 104.1 (2) |
C6—P2—Pt1 | 115.39 (17) | C52—P4—Pt2 | 119.09 (17) |
C29—P2—Pt1 | 116.98 (17) | C75—P4—Pt2 | 120.89 (18) |
C23—P2—Pt1 | 110.64 (17) | C69—P4—Pt2 | 107.48 (19) |
C5—C1—C2 | 106.7 (5) | C51—C47—C48 | 107.1 (5) |
C5—C1—P1 | 126.8 (4) | C51—C47—P3 | 121.5 (4) |
C2—C1—P1 | 126.5 (4) | C48—C47—P3 | 131.1 (4) |
C5—C1—Fe2 | 70.2 (3) | C51—C47—Fe1 | 70.2 (3) |
C2—C1—Fe2 | 69.4 (3) | C48—C47—Fe1 | 70.4 (3) |
P1—C1—Fe2 | 127.2 (3) | P3—C47—Fe1 | 119.8 (3) |
C3—C2—C1 | 108.1 (5) | C49—C48—C47 | 107.5 (5) |
C3—C2—Fe2 | 70.9 (3) | C49—C48—Fe1 | 70.9 (3) |
C1—C2—Fe2 | 69.1 (3) | C47—C48—Fe1 | 67.9 (3) |
C3—C2—H2 | 126.0 | C49—C48—H48 | 126.2 |
C1—C2—H2 | 126.0 | C47—C48—H48 | 126.2 |
Fe2—C2—H2 | 125.7 | Fe1—C48—H48 | 126.6 |
C4—C3—C2 | 108.7 (5) | C48—C49—C50 | 109.1 (5) |
C4—C3—Fe2 | 70.5 (3) | C48—C49—Fe1 | 68.8 (3) |
C2—C3—Fe2 | 68.6 (3) | C50—C49—Fe1 | 70.4 (3) |
C4—C3—H3 | 125.6 | C48—C49—H49 | 125.5 |
C2—C3—H3 | 125.6 | C50—C49—H49 | 125.5 |
Fe2—C3—H3 | 126.8 | Fe1—C49—H49 | 126.9 |
C3—C4—C5 | 108.6 (5) | C51—C50—C49 | 107.7 (5) |
C3—C4—Fe2 | 70.0 (3) | C51—C50—Fe1 | 68.1 (3) |
C5—C4—Fe2 | 69.1 (3) | C49—C50—Fe1 | 69.5 (3) |
C3—C4—H4 | 125.7 | C51—C50—H50 | 126.1 |
C5—C4—H4 | 125.7 | C49—C50—H50 | 126.1 |
Fe2—C4—H4 | 126.8 | Fe1—C50—H50 | 127.9 |
C4—C5—C1 | 108.0 (5) | C50—C51—C47 | 108.5 (5) |
C4—C5—Fe2 | 70.5 (3) | C50—C51—Fe1 | 71.7 (3) |
C1—C5—Fe2 | 68.6 (3) | C47—C51—Fe1 | 68.1 (3) |
C4—C5—H5 | 126.0 | C50—C51—H51 | 125.7 |
C1—C5—H5 | 126.0 | C47—C51—H51 | 125.7 |
Fe2—C5—H5 | 126.5 | Fe1—C51—H51 | 126.0 |
C7—C6—C10 | 106.3 (5) | C53—C52—C56 | 106.4 (5) |
C7—C6—P2 | 123.8 (4) | C53—C52—P4 | 129.6 (4) |
C10—C6—P2 | 130.0 (4) | C56—C52—P4 | 124.0 (4) |
C7—C6—Fe2 | 70.1 (3) | C53—C52—Fe1 | 69.8 (3) |
C10—C6—Fe2 | 70.7 (3) | C56—C52—Fe1 | 69.8 (3) |
P2—C6—Fe2 | 124.3 (3) | P4—C52—Fe1 | 126.1 (3) |
C8—C7—C6 | 108.2 (5) | C54—C53—C52 | 108.7 (5) |
C8—C7—Fe2 | 71.2 (3) | C54—C53—Fe1 | 70.7 (3) |
C6—C7—Fe2 | 68.2 (3) | C52—C53—Fe1 | 69.0 (3) |
C8—C7—H7 | 125.9 | C54—C53—H53 | 125.6 |
C6—C7—H7 | 125.9 | C52—C53—H53 | 125.6 |
Fe2—C7—H7 | 126.3 | Fe1—C53—H53 | 126.2 |
C9—C8—C7 | 109.0 (5) | C55—C54—C53 | 108.1 (5) |
C9—C8—Fe2 | 70.2 (3) | C55—C54—Fe1 | 69.7 (3) |
C7—C8—Fe2 | 68.6 (3) | C53—C54—Fe1 | 68.9 (3) |
C9—C8—H8 | 125.5 | C55—C54—H54 | 125.9 |
C7—C8—H8 | 125.5 | C53—C54—H54 | 125.9 |
Fe2—C8—H8 | 127.3 | Fe1—C54—H54 | 127.1 |
C8—C9—C10 | 108.1 (5) | C54—C55—C56 | 108.3 (5) |
C8—C9—Fe2 | 70.1 (3) | C54—C55—Fe1 | 70.2 (3) |
C10—C9—Fe2 | 69.1 (3) | C56—C55—Fe1 | 69.3 (3) |
C8—C9—H9 | 125.9 | C54—C55—H55 | 125.8 |
C10—C9—H9 | 125.9 | C56—C55—H55 | 125.8 |
Fe2—C9—H9 | 126.4 | Fe1—C55—H55 | 126.2 |
C9—C10—C6 | 108.4 (5) | C55—C56—C52 | 108.4 (5) |
C9—C10—Fe2 | 70.6 (3) | C55—C56—Fe1 | 70.3 (3) |
C6—C10—Fe2 | 67.7 (3) | C52—C56—Fe1 | 68.7 (3) |
C9—C10—H10 | 125.8 | C55—C56—H56 | 125.8 |
C6—C10—H10 | 125.8 | C52—C56—H56 | 125.8 |
Fe2—C10—H10 | 127.4 | Fe1—C56—H56 | 126.7 |
C12—C11—C16 | 117.6 (5) | C58—C57—C62 | 118.8 (5) |
C12—C11—P1 | 124.2 (4) | C58—C57—P3 | 121.3 (4) |
C16—C11—P1 | 118.1 (4) | C62—C57—P3 | 119.9 (4) |
C11—C12—C13 | 121.1 (6) | C59—C58—C57 | 120.7 (5) |
C11—C12—H12 | 119.5 | C59—C58—H58 | 119.7 |
C13—C12—H12 | 119.5 | C57—C58—H58 | 119.7 |
C14—C13—C12 | 121.0 (6) | C60—C59—C58 | 119.7 (6) |
C14—C13—H13 | 119.5 | C60—C59—H59 | 120.2 |
C12—C13—H13 | 119.5 | C58—C59—H59 | 120.2 |
C13—C14—C15 | 118.7 (6) | C59—C60—C61 | 120.7 (6) |
C13—C14—H14 | 120.6 | C59—C60—H60 | 119.7 |
C15—C14—H14 | 120.6 | C61—C60—H60 | 119.7 |
C14—C15—C16 | 120.6 (6) | C60—C61—C62 | 119.8 (6) |
C14—C15—H15 | 119.7 | C60—C61—H61 | 120.1 |
C16—C15—H15 | 119.7 | C62—C61—H61 | 120.1 |
C15—C16—C11 | 121.0 (5) | C61—C62—C57 | 120.3 (5) |
C15—C16—H16 | 119.5 | C61—C62—H62 | 119.8 |
C11—C16—H16 | 119.5 | C57—C62—H62 | 119.8 |
C18—C17—C22 | 119.2 (5) | C64—C63—C68 | 119.3 (5) |
C18—C17—P1 | 122.1 (4) | C64—C63—P3 | 122.1 (4) |
C22—C17—P1 | 118.6 (4) | C68—C63—P3 | 118.6 (4) |
C17—C18—C19 | 119.1 (6) | C63—C64—C65 | 120.2 (6) |
C17—C18—H18 | 120.4 | C63—C64—H64 | 119.9 |
C19—C18—H18 | 120.4 | C65—C64—H64 | 119.9 |
C20—C19—C18 | 120.3 (6) | C66—C65—C64 | 120.4 (7) |
C20—C19—H19 | 119.9 | C66—C65—H65 | 119.8 |
C18—C19—H19 | 119.9 | C64—C65—H65 | 119.8 |
C19—C20—C21 | 121.1 (6) | C65—C66—C67 | 121.0 (6) |
C19—C20—H20 | 119.4 | C65—C66—H66 | 119.5 |
C21—C20—H20 | 119.4 | C67—C66—H66 | 119.5 |
C20—C21—C22 | 118.7 (6) | C66—C67—C68 | 119.9 (6) |
C20—C21—H21 | 120.6 | C66—C67—H67 | 120.1 |
C22—C21—H21 | 120.6 | C68—C67—H67 | 120.1 |
C17—C22—C21 | 121.4 (6) | C67—C68—C63 | 119.2 (6) |
C17—C22—H22 | 119.3 | C67—C68—H68 | 120.4 |
C21—C22—H22 | 119.3 | C63—C68—H68 | 120.4 |
C24—C23—C28 | 118.7 (5) | C70—C69—C74 | 117.6 (5) |
C24—C23—P2 | 119.9 (4) | C70—C69—P4 | 123.4 (5) |
C28—C23—P2 | 121.0 (4) | C74—C69—P4 | 118.8 (4) |
C23—C24—C25 | 120.8 (6) | C69—C70—C71 | 121.8 (6) |
C23—C24—H24 | 119.6 | C69—C70—H70 | 119.1 |
C25—C24—H24 | 119.6 | C71—C70—H70 | 119.1 |
C26—C25—C24 | 119.8 (6) | C72—C71—C70 | 119.9 (6) |
C26—C25—H25 | 120.1 | C72—C71—H71 | 120.0 |
C24—C25—H25 | 120.1 | C70—C71—H71 | 120.0 |
C27—C26—C25 | 119.3 (6) | C71—C72—C73 | 119.7 (6) |
C27—C26—H26 | 120.4 | C71—C72—H72 | 120.2 |
C25—C26—H26 | 120.4 | C73—C72—H72 | 120.2 |
C28—C27—C26 | 121.3 (6) | C72—C73—C74 | 120.2 (7) |
C28—C27—H27 | 119.4 | C72—C73—H73 | 119.9 |
C26—C27—H27 | 119.4 | C74—C73—H73 | 119.9 |
C27—C28—C23 | 120.1 (6) | C69—C74—C73 | 120.7 (6) |
C27—C28—H28 | 120.0 | C69—C74—H74 | 119.6 |
C23—C28—H28 | 120.0 | C73—C74—H74 | 119.6 |
C30—C29—C34 | 119.2 (5) | C76—C75—C80 | 116.9 (6) |
C30—C29—P2 | 120.5 (4) | C76—C75—P4 | 121.4 (5) |
C34—C29—P2 | 120.3 (4) | C80—C75—P4 | 121.7 (5) |
C31—C30—C29 | 121.2 (5) | C75—C76—C77 | 122.0 (6) |
C31—C30—H30 | 119.4 | C75—C76—H76 | 119.0 |
C29—C30—H30 | 119.4 | C77—C76—H76 | 119.0 |
C30—C31—C32 | 119.6 (6) | C78—C77—C76 | 120.4 (7) |
C30—C31—H31 | 120.2 | C78—C77—H77 | 119.8 |
C32—C31—H31 | 120.2 | C76—C77—H77 | 119.8 |
C33—C32—C31 | 119.9 (6) | C77—C78—C79 | 119.7 (7) |
C33—C32—H32 | 120.1 | C77—C78—H78 | 120.2 |
C31—C32—H32 | 120.1 | C79—C78—H78 | 120.2 |
C32—C33—C34 | 121.2 (6) | C78—C79—C80 | 119.4 (7) |
C32—C33—H33 | 119.4 | C78—C79—H79 | 120.3 |
C34—C33—H33 | 119.4 | C80—C79—H79 | 120.3 |
C33—C34—C29 | 119.0 (6) | C75—C80—C79 | 121.6 (7) |
C33—C34—H34 | 120.5 | C75—C80—H80 | 119.2 |
C29—C34—H34 | 120.5 | C79—C80—H80 | 119.2 |
C36—C35—C40 | 114.4 (5) | C86—C81—C82 | 113.3 (6) |
C36—C35—S1 | 118.7 (4) | C86—C81—S3 | 119.5 (6) |
C40—C35—S1 | 126.9 (5) | C82—C81—S3 | 127.2 (5) |
F1—C36—C35 | 119.8 (5) | F11—C82—C83 | 115.7 (6) |
F1—C36—C37 | 116.4 (5) | F11—C82—C81 | 119.9 (6) |
C35—C36—C37 | 123.7 (5) | C83—C82—C81 | 124.4 (6) |
F2—C37—C38 | 119.6 (5) | F12—C83—C84 | 120.3 (7) |
F2—C37—C36 | 121.2 (5) | F12—C83—C82 | 120.2 (7) |
C38—C37—C36 | 119.0 (6) | C84—C83—C82 | 119.5 (7) |
F3—C38—C37 | 120.2 (6) | C85—C84—F13 | 120.5 (8) |
F3—C38—C39 | 120.2 (6) | C85—C84—C83 | 119.6 (7) |
C37—C38—C39 | 119.6 (6) | F13—C84—C83 | 119.9 (8) |
F4—C39—C40 | 121.7 (6) | F14—C85—C84 | 119.5 (8) |
F4—C39—C38 | 118.7 (6) | F14—C85—C86 | 120.8 (8) |
C40—C39—C38 | 119.6 (6) | C84—C85—C86 | 119.7 (7) |
F5—C40—C39 | 116.9 (5) | F15—C86—C81 | 119.5 (7) |
F5—C40—C35 | 119.6 (5) | F15—C86—C85 | 117.0 (6) |
C39—C40—C35 | 123.5 (6) | C81—C86—C85 | 123.5 (7) |
C42—C41—C46 | 115.6 (5) | C88—C87—C92 | 115.2 (5) |
C42—C41—S2 | 124.8 (5) | C88—C87—S4 | 121.7 (5) |
C46—C41—S2 | 119.2 (4) | C92—C87—S4 | 123.0 (4) |
F6—C42—C41 | 120.4 (6) | F16—C88—C87 | 119.7 (5) |
F6—C42—C43 | 118.3 (6) | F16—C88—C89 | 117.8 (6) |
C41—C42—C43 | 121.4 (6) | C87—C88—C89 | 122.5 (6) |
F7—C43—C44 | 120.0 (7) | F17—C89—C90 | 120.8 (6) |
F7—C43—C42 | 119.4 (7) | F17—C89—C88 | 119.3 (7) |
C44—C43—C42 | 120.7 (6) | C90—C89—C88 | 119.8 (6) |
C43—C44—F8 | 121.0 (7) | F18—C90—C91 | 120.9 (7) |
C43—C44—C45 | 119.8 (6) | F18—C90—C89 | 120.0 (7) |
F8—C44—C45 | 119.2 (7) | C91—C90—C89 | 119.1 (6) |
F9—C45—C44 | 120.7 (6) | C90—C91—F19 | 119.3 (6) |
F9—C45—C46 | 119.7 (7) | C90—C91—C92 | 120.9 (6) |
C44—C45—C46 | 119.6 (6) | F19—C91—C92 | 119.8 (7) |
F10—C46—C45 | 117.3 (5) | F20—C92—C91 | 118.6 (6) |
F10—C46—C41 | 119.8 (5) | F20—C92—C87 | 119.0 (5) |
C45—C46—C41 | 122.9 (6) | C91—C92—C87 | 122.4 (6) |
P1—Pt1—S1—C35 | −145.2 (2) | P3—Pt2—S4—C87 | 149.9 (2) |
S2—Pt1—S1—C35 | 43.4 (2) | P4—Pt2—S4—C87 | 43.3 (3) |
P2—Pt1—S2—C41 | −161.8 (2) | S3—Pt2—S4—C87 | −38.2 (2) |
S1—Pt1—S2—C41 | 23.8 (2) | P4—Pt2—P3—C47 | 61.68 (18) |
P2—Pt1—P1—C1 | 18.5 (2) | S4—Pt2—P3—C47 | −107.37 (18) |
S1—Pt1—P1—C1 | −167.0 (2) | P4—Pt2—P3—C57 | −62.44 (18) |
P2—Pt1—P1—C11 | 135.23 (18) | S4—Pt2—P3—C57 | 128.51 (18) |
S1—Pt1—P1—C11 | −50.33 (18) | P4—Pt2—P3—C63 | −176.66 (19) |
P2—Pt1—P1—C17 | −106.8 (2) | S4—Pt2—P3—C63 | 14.3 (2) |
S1—Pt1—P1—C17 | 67.6 (2) | P3—Pt2—P4—C52 | −24.4 (2) |
P1—Pt1—P2—C6 | −50.60 (19) | S4—Pt2—P4—C52 | 81.2 (3) |
S2—Pt1—P2—C6 | 121.03 (19) | S3—Pt2—P4—C52 | 163.0 (2) |
P1—Pt1—P2—C29 | −169.9 (2) | P3—Pt2—P4—C75 | 103.9 (2) |
S2—Pt1—P2—C29 | 1.7 (2) | S4—Pt2—P4—C75 | −150.5 (3) |
P1—Pt1—P2—C23 | 74.00 (18) | S3—Pt2—P4—C75 | −68.6 (2) |
S2—Pt1—P2—C23 | −114.37 (18) | P3—Pt2—P4—C69 | −137.03 (18) |
C11—P1—C1—C5 | −9.7 (5) | S4—Pt2—P4—C69 | −31.4 (3) |
C17—P1—C1—C5 | −117.6 (5) | S3—Pt2—P4—C69 | 50.42 (18) |
Pt1—P1—C1—C5 | 107.8 (5) | C57—P3—C47—C51 | 147.5 (4) |
C11—P1—C1—C2 | 167.6 (5) | C63—P3—C47—C51 | −105.3 (4) |
C17—P1—C1—C2 | 59.7 (5) | Pt2—P3—C47—C51 | 21.5 (5) |
Pt1—P1—C1—C2 | −74.9 (5) | C57—P3—C47—C48 | −25.6 (6) |
C11—P1—C1—Fe2 | −101.7 (4) | C63—P3—C47—C48 | 81.6 (5) |
C17—P1—C1—Fe2 | 150.4 (3) | Pt2—P3—C47—C48 | −151.6 (4) |
Pt1—P1—C1—Fe2 | 15.8 (4) | C57—P3—C47—Fe1 | 63.6 (3) |
C5—C1—C2—C3 | −0.2 (6) | C63—P3—C47—Fe1 | 170.8 (3) |
P1—C1—C2—C3 | −177.9 (4) | Pt2—P3—C47—Fe1 | −62.3 (3) |
Fe2—C1—C2—C3 | 60.4 (4) | C52—Fe1—C47—C51 | −100.2 (3) |
C5—C1—C2—Fe2 | −60.6 (4) | C48—Fe1—C47—C51 | 117.4 (4) |
P1—C1—C2—Fe2 | 121.7 (4) | C53—Fe1—C47—C51 | −144.2 (3) |
C1—C2—C3—C4 | −0.1 (6) | C56—Fe1—C47—C51 | −63.8 (4) |
Fe2—C2—C3—C4 | 59.2 (4) | C54—Fe1—C47—C51 | 179.9 (3) |
C1—C2—C3—Fe2 | −59.3 (4) | C49—Fe1—C47—C51 | 80.1 (3) |
C2—C3—C4—C5 | 0.3 (7) | C50—Fe1—C47—C51 | 37.0 (3) |
Fe2—C3—C4—C5 | 58.4 (4) | C52—Fe1—C47—C48 | 142.4 (3) |
C2—C3—C4—Fe2 | −58.1 (4) | C51—Fe1—C47—C48 | −117.4 (4) |
C3—C4—C5—C1 | −0.4 (7) | C53—Fe1—C47—C48 | 98.4 (3) |
Fe2—C4—C5—C1 | 58.5 (4) | C56—Fe1—C47—C48 | 178.8 (3) |
C3—C4—C5—Fe2 | −59.0 (4) | C54—Fe1—C47—C48 | 62.5 (4) |
C2—C1—C5—C4 | 0.4 (6) | C49—Fe1—C47—C48 | −37.3 (3) |
P1—C1—C5—C4 | 178.1 (4) | C50—Fe1—C47—C48 | −80.4 (3) |
Fe2—C1—C5—C4 | −59.7 (4) | C52—Fe1—C47—P3 | 15.4 (3) |
C2—C1—C5—Fe2 | 60.1 (4) | C51—Fe1—C47—P3 | 115.7 (4) |
P1—C1—C5—Fe2 | −122.2 (4) | C48—Fe1—C47—P3 | −126.9 (4) |
C29—P2—C6—C7 | 95.3 (5) | C53—Fe1—C47—P3 | −28.5 (3) |
C23—P2—C6—C7 | −157.6 (4) | C56—Fe1—C47—P3 | 51.8 (5) |
Pt1—P2—C6—C7 | −32.3 (5) | C54—Fe1—C47—P3 | −64.4 (4) |
C29—P2—C6—C10 | −84.1 (5) | C49—Fe1—C47—P3 | −164.3 (4) |
C23—P2—C6—C10 | 23.0 (5) | C50—Fe1—C47—P3 | 152.7 (4) |
Pt1—P2—C6—C10 | 148.3 (4) | C51—C47—C48—C49 | −0.9 (6) |
C29—P2—C6—Fe2 | −177.0 (3) | P3—C47—C48—C49 | 172.9 (4) |
C23—P2—C6—Fe2 | −69.9 (4) | Fe1—C47—C48—C49 | 60.0 (4) |
Pt1—P2—C6—Fe2 | 55.4 (3) | C51—C47—C48—Fe1 | −61.0 (3) |
C10—C6—C7—C8 | −1.6 (6) | P3—C47—C48—Fe1 | 112.9 (5) |
P2—C6—C7—C8 | 178.8 (4) | C47—Fe1—C48—C49 | −119.0 (5) |
Fe2—C6—C7—C8 | 60.2 (4) | C52—Fe1—C48—C49 | −178.8 (3) |
C10—C6—C7—Fe2 | −61.8 (3) | C51—Fe1—C48—C49 | −79.9 (4) |
P2—C6—C7—Fe2 | 118.6 (4) | C53—Fe1—C48—C49 | 143.1 (4) |
C6—C7—C8—C9 | 0.3 (6) | C55—Fe1—C48—C49 | 63.3 (5) |
Fe2—C7—C8—C9 | 58.7 (4) | C54—Fe1—C48—C49 | 99.7 (4) |
C6—C7—C8—Fe2 | −58.4 (4) | C50—Fe1—C48—C49 | −36.6 (3) |
C7—C8—C9—C10 | 1.1 (7) | C52—Fe1—C48—C47 | −59.8 (4) |
Fe2—C8—C9—C10 | 58.8 (4) | C51—Fe1—C48—C47 | 39.1 (3) |
C7—C8—C9—Fe2 | −57.7 (4) | C53—Fe1—C48—C47 | −97.9 (3) |
C8—C9—C10—C6 | −2.2 (6) | C55—Fe1—C48—C47 | −177.7 (3) |
Fe2—C9—C10—C6 | 57.3 (4) | C54—Fe1—C48—C47 | −141.2 (3) |
C8—C9—C10—Fe2 | −59.5 (4) | C49—Fe1—C48—C47 | 119.0 (5) |
C7—C6—C10—C9 | 2.3 (6) | C50—Fe1—C48—C47 | 82.4 (3) |
P2—C6—C10—C9 | −178.2 (4) | C47—C48—C49—C50 | 0.9 (6) |
Fe2—C6—C10—C9 | −59.1 (4) | Fe1—C48—C49—C50 | 59.1 (4) |
C7—C6—C10—Fe2 | 61.4 (3) | C47—C48—C49—Fe1 | −58.1 (4) |
P2—C6—C10—Fe2 | −119.1 (4) | C47—Fe1—C49—C48 | 38.6 (3) |
C1—P1—C11—C12 | −97.5 (5) | C51—Fe1—C49—C48 | 83.5 (4) |
C17—P1—C11—C12 | 5.8 (5) | C53—Fe1—C49—C48 | −58.5 (5) |
Pt1—P1—C11—C12 | 133.7 (5) | C56—Fe1—C49—C48 | −178.4 (4) |
C1—P1—C11—C16 | 86.5 (5) | C55—Fe1—C49—C48 | −140.5 (3) |
C17—P1—C11—C16 | −170.2 (4) | C54—Fe1—C49—C48 | −96.9 (4) |
Pt1—P1—C11—C16 | −42.3 (4) | C50—Fe1—C49—C48 | 120.6 (5) |
C16—C11—C12—C13 | 0.7 (9) | C47—Fe1—C49—C50 | −82.0 (4) |
P1—C11—C12—C13 | −175.3 (5) | C51—Fe1—C49—C50 | −37.1 (3) |
C11—C12—C13—C14 | −1.5 (10) | C48—Fe1—C49—C50 | −120.6 (5) |
C12—C13—C14—C15 | 1.1 (10) | C53—Fe1—C49—C50 | −179.2 (4) |
C13—C14—C15—C16 | −0.1 (9) | C56—Fe1—C49—C50 | 60.9 (5) |
C14—C15—C16—C11 | −0.7 (9) | C55—Fe1—C49—C50 | 98.8 (4) |
C12—C11—C16—C15 | 0.3 (8) | C54—Fe1—C49—C50 | 142.4 (4) |
P1—C11—C16—C15 | 176.6 (4) | C48—C49—C50—C51 | −0.6 (6) |
C1—P1—C17—C18 | −144.5 (5) | Fe1—C49—C50—C51 | 57.5 (4) |
C11—P1—C17—C18 | 108.9 (5) | C48—C49—C50—Fe1 | −58.1 (4) |
Pt1—P1—C17—C18 | −9.0 (5) | C47—Fe1—C50—C51 | −38.2 (3) |
C1—P1—C17—C22 | 37.6 (5) | C52—Fe1—C50—C51 | 57.3 (5) |
C11—P1—C17—C22 | −69.0 (5) | C48—Fe1—C50—C51 | −83.2 (3) |
Pt1—P1—C17—C22 | 173.1 (4) | C56—Fe1—C50—C51 | 97.4 (3) |
C22—C17—C18—C19 | 0.9 (8) | C55—Fe1—C50—C51 | 141.3 (3) |
P1—C17—C18—C19 | −177.0 (4) | C54—Fe1—C50—C51 | 179.5 (4) |
C17—C18—C19—C20 | 0.4 (9) | C49—Fe1—C50—C51 | −120.1 (5) |
C18—C19—C20—C21 | 0.3 (10) | C47—Fe1—C50—C49 | 81.8 (3) |
C19—C20—C21—C22 | −2.2 (10) | C52—Fe1—C50—C49 | 177.4 (3) |
C18—C17—C22—C21 | −3.0 (9) | C51—Fe1—C50—C49 | 120.1 (5) |
P1—C17—C22—C21 | 175.0 (5) | C48—Fe1—C50—C49 | 36.8 (3) |
C20—C21—C22—C17 | 3.6 (10) | C56—Fe1—C50—C49 | −142.5 (3) |
C6—P2—C23—C24 | 131.9 (4) | C55—Fe1—C50—C49 | −98.6 (4) |
C29—P2—C23—C24 | −121.2 (4) | C54—Fe1—C50—C49 | −60.5 (5) |
Pt1—P2—C23—C24 | 3.9 (5) | C49—C50—C51—C47 | 0.0 (6) |
C6—P2—C23—C28 | −55.7 (5) | Fe1—C50—C51—C47 | 58.3 (4) |
C29—P2—C23—C28 | 51.1 (5) | C49—C50—C51—Fe1 | −58.3 (4) |
Pt1—P2—C23—C28 | 176.2 (4) | C48—C47—C51—C50 | 0.6 (6) |
C28—C23—C24—C25 | 1.1 (8) | P3—C47—C51—C50 | −174.0 (4) |
P2—C23—C24—C25 | 173.7 (5) | Fe1—C47—C51—C50 | −60.5 (4) |
C23—C24—C25—C26 | 0.2 (9) | C48—C47—C51—Fe1 | 61.1 (3) |
C24—C25—C26—C27 | −0.7 (10) | P3—C47—C51—Fe1 | −113.5 (4) |
C25—C26—C27—C28 | −0.3 (11) | C47—Fe1—C51—C50 | 119.6 (4) |
C26—C27—C28—C23 | 1.6 (10) | C52—Fe1—C51—C50 | −144.5 (3) |
C24—C23—C28—C27 | −2.1 (9) | C48—Fe1—C51—C50 | 80.4 (3) |
P2—C23—C28—C27 | −174.5 (5) | C53—Fe1—C51—C50 | 178.0 (4) |
C6—P2—C29—C30 | −30.6 (5) | C56—Fe1—C51—C50 | −99.8 (4) |
C23—P2—C29—C30 | −143.3 (4) | C55—Fe1—C51—C50 | −62.4 (5) |
Pt1—P2—C29—C30 | 95.9 (4) | C49—Fe1—C51—C50 | 37.0 (3) |
C6—P2—C29—C34 | 149.9 (4) | C52—Fe1—C51—C47 | 95.9 (3) |
C23—P2—C29—C34 | 37.2 (5) | C48—Fe1—C51—C47 | −39.2 (3) |
Pt1—P2—C29—C34 | −83.6 (4) | C53—Fe1—C51—C47 | 58.4 (4) |
C34—C29—C30—C31 | 0.1 (8) | C56—Fe1—C51—C47 | 140.6 (3) |
P2—C29—C30—C31 | −179.4 (4) | C55—Fe1—C51—C47 | 178.0 (3) |
C29—C30—C31—C32 | −0.1 (9) | C49—Fe1—C51—C47 | −82.6 (3) |
C30—C31—C32—C33 | 0.4 (10) | C50—Fe1—C51—C47 | −119.6 (4) |
C31—C32—C33—C34 | −0.8 (10) | C75—P4—C52—C53 | −59.6 (5) |
C32—C33—C34—C29 | 0.8 (9) | C69—P4—C52—C53 | −166.6 (5) |
C30—C29—C34—C33 | −0.5 (8) | Pt2—P4—C52—C53 | 76.8 (5) |
P2—C29—C34—C33 | 179.1 (4) | C75—P4—C52—C56 | 119.0 (5) |
Pt1—S1—C35—C36 | −140.1 (4) | C69—P4—C52—C56 | 12.1 (5) |
Pt1—S1—C35—C40 | 40.6 (6) | Pt2—P4—C52—C56 | −104.5 (4) |
C40—C35—C36—F1 | −179.4 (5) | C75—P4—C52—Fe1 | −152.3 (3) |
S1—C35—C36—F1 | 1.2 (7) | C69—P4—C52—Fe1 | 100.7 (4) |
C40—C35—C36—C37 | −3.0 (9) | Pt2—P4—C52—Fe1 | −15.9 (4) |
S1—C35—C36—C37 | 177.7 (5) | C47—Fe1—C52—C53 | −98.9 (3) |
F1—C36—C37—F2 | 1.5 (8) | C51—Fe1—C52—C53 | −143.4 (3) |
C35—C36—C37—F2 | −175.1 (5) | C48—Fe1—C52—C53 | −61.3 (4) |
F1—C36—C37—C38 | 177.8 (5) | C56—Fe1—C52—C53 | 117.1 (4) |
C35—C36—C37—C38 | 1.2 (9) | C55—Fe1—C52—C53 | 80.2 (3) |
F2—C37—C38—F3 | −3.0 (9) | C54—Fe1—C52—C53 | 37.0 (3) |
C36—C37—C38—F3 | −179.3 (5) | C50—Fe1—C52—C53 | −179.1 (4) |
F2—C37—C38—C39 | 177.4 (5) | C47—Fe1—C52—C56 | 143.9 (3) |
C36—C37—C38—C39 | 1.1 (9) | C51—Fe1—C52—C56 | 99.4 (3) |
F3—C38—C39—F4 | 0.6 (9) | C48—Fe1—C52—C56 | −178.5 (3) |
C37—C38—C39—F4 | −179.8 (5) | C53—Fe1—C52—C56 | −117.1 (4) |
F3—C38—C39—C40 | 179.0 (5) | C55—Fe1—C52—C56 | −36.9 (3) |
C37—C38—C39—C40 | −1.4 (10) | C54—Fe1—C52—C56 | −80.1 (3) |
F4—C39—C40—F5 | −1.8 (9) | C50—Fe1—C52—C56 | 63.8 (4) |
C38—C39—C40—F5 | 179.8 (5) | C47—Fe1—C52—P4 | 26.0 (4) |
F4—C39—C40—C35 | 177.8 (5) | C51—Fe1—C52—P4 | −18.5 (4) |
C38—C39—C40—C35 | −0.6 (10) | C48—Fe1—C52—P4 | 63.5 (5) |
C36—C35—C40—F5 | −177.7 (5) | C53—Fe1—C52—P4 | 124.9 (5) |
S1—C35—C40—F5 | 1.5 (8) | C56—Fe1—C52—P4 | −118.0 (5) |
C36—C35—C40—C39 | 2.7 (9) | C55—Fe1—C52—P4 | −154.9 (4) |
S1—C35—C40—C39 | −178.1 (5) | C54—Fe1—C52—P4 | 161.9 (4) |
Pt1—S2—C41—C42 | 54.2 (5) | C50—Fe1—C52—P4 | −54.2 (5) |
Pt1—S2—C41—C46 | −133.2 (4) | C56—C52—C53—C54 | 0.8 (6) |
C46—C41—C42—F6 | −177.4 (5) | P4—C52—C53—C54 | 179.6 (4) |
S2—C41—C42—F6 | −4.6 (8) | Fe1—C52—C53—C54 | −59.8 (4) |
C46—C41—C42—C43 | 3.3 (8) | C56—C52—C53—Fe1 | 60.5 (4) |
S2—C41—C42—C43 | 176.1 (5) | P4—C52—C53—Fe1 | −120.7 (4) |
F6—C42—C43—F7 | −0.7 (9) | C47—Fe1—C53—C54 | −143.4 (3) |
C41—C42—C43—F7 | 178.6 (5) | C52—Fe1—C53—C54 | 119.9 (5) |
F6—C42—C43—C44 | 177.8 (6) | C51—Fe1—C53—C54 | 179.5 (4) |
C41—C42—C43—C44 | −2.9 (10) | C48—Fe1—C53—C54 | −98.8 (4) |
F7—C43—C44—F8 | −0.8 (10) | C56—Fe1—C53—C54 | 80.6 (4) |
C42—C43—C44—F8 | −179.2 (6) | C55—Fe1—C53—C54 | 37.0 (3) |
F7—C43—C44—C45 | 178.3 (6) | C49—Fe1—C53—C54 | −62.7 (5) |
C42—C43—C44—C45 | −0.2 (10) | C47—Fe1—C53—C52 | 96.7 (3) |
C43—C44—C45—F9 | −179.9 (6) | C51—Fe1—C53—C52 | 59.6 (5) |
F8—C44—C45—F9 | −0.8 (10) | C48—Fe1—C53—C52 | 141.3 (3) |
C43—C44—C45—C46 | 2.6 (10) | C56—Fe1—C53—C52 | −39.3 (3) |
F8—C44—C45—C46 | −178.3 (6) | C55—Fe1—C53—C52 | −82.9 (3) |
F9—C45—C46—F10 | 0.7 (9) | C54—Fe1—C53—C52 | −119.9 (5) |
C44—C45—C46—F10 | 178.2 (6) | C49—Fe1—C53—C52 | 177.4 (3) |
F9—C45—C46—C41 | −179.6 (5) | C52—C53—C54—C55 | 0.0 (6) |
C44—C45—C46—C41 | −2.1 (10) | Fe1—C53—C54—C55 | −58.7 (4) |
C42—C41—C46—F10 | 178.8 (5) | C52—C53—C54—Fe1 | 58.7 (4) |
S2—C41—C46—F10 | 5.6 (7) | C47—Fe1—C54—C55 | 178.0 (3) |
C42—C41—C46—C45 | −0.9 (9) | C52—Fe1—C54—C55 | 82.2 (4) |
S2—C41—C46—C45 | −174.1 (5) | C48—Fe1—C54—C55 | −142.7 (3) |
C7—C6—Fe2—C1 | 101.9 (3) | C53—Fe1—C54—C55 | 120.0 (5) |
C10—C6—Fe2—C1 | −141.9 (3) | C56—Fe1—C54—C55 | 37.5 (3) |
P2—C6—Fe2—C1 | −16.0 (4) | C49—Fe1—C54—C55 | −99.3 (4) |
C10—C6—Fe2—C7 | 116.3 (4) | C50—Fe1—C54—C55 | −62.0 (5) |
P2—C6—Fe2—C7 | −117.9 (5) | C47—Fe1—C54—C53 | 58.0 (5) |
C7—C6—Fe2—C2 | 145.8 (3) | C52—Fe1—C54—C53 | −37.7 (3) |
C10—C6—Fe2—C2 | −97.9 (3) | C48—Fe1—C54—C53 | 97.3 (4) |
P2—C6—Fe2—C2 | 27.9 (4) | C56—Fe1—C54—C53 | −82.5 (4) |
C7—C6—Fe2—C10 | −116.3 (4) | C55—Fe1—C54—C53 | −120.0 (5) |
P2—C6—Fe2—C10 | 125.8 (5) | C49—Fe1—C54—C53 | 140.8 (3) |
C7—C6—Fe2—C5 | 66.4 (4) | C50—Fe1—C54—C53 | 178.0 (4) |
C10—C6—Fe2—C5 | −177.3 (3) | C53—C54—C55—C56 | −0.7 (7) |
P2—C6—Fe2—C5 | −51.5 (5) | Fe1—C54—C55—C56 | −59.0 (4) |
C7—C6—Fe2—C3 | −179.9 (4) | C53—C54—C55—Fe1 | 58.3 (4) |
C10—C6—Fe2—C3 | −63.7 (4) | C52—Fe1—C55—C54 | −81.7 (4) |
P2—C6—Fe2—C3 | 62.1 (5) | C51—Fe1—C55—C54 | 179.9 (3) |
C7—C6—Fe2—C8 | −37.1 (3) | C48—Fe1—C55—C54 | 59.2 (5) |
C10—C6—Fe2—C8 | 79.2 (3) | C53—Fe1—C55—C54 | −37.3 (3) |
P2—C6—Fe2—C8 | −155.0 (4) | C56—Fe1—C55—C54 | −119.6 (5) |
C7—C6—Fe2—C9 | −79.7 (3) | C49—Fe1—C55—C54 | 98.0 (4) |
C10—C6—Fe2—C9 | 36.6 (3) | C50—Fe1—C55—C54 | 141.6 (4) |
P2—C6—Fe2—C9 | 162.4 (4) | C52—Fe1—C55—C56 | 37.9 (3) |
C5—C1—Fe2—C6 | −143.4 (3) | C51—Fe1—C55—C56 | −60.6 (5) |
C2—C1—Fe2—C6 | 99.1 (3) | C48—Fe1—C55—C56 | 178.8 (4) |
P1—C1—Fe2—C6 | −21.7 (4) | C53—Fe1—C55—C56 | 82.3 (4) |
C5—C1—Fe2—C7 | −99.1 (3) | C54—Fe1—C55—C56 | 119.6 (5) |
C2—C1—Fe2—C7 | 143.4 (3) | C49—Fe1—C55—C56 | −142.5 (4) |
P1—C1—Fe2—C7 | 22.6 (4) | C50—Fe1—C55—C56 | −98.9 (4) |
C5—C1—Fe2—C2 | 117.5 (4) | C54—C55—C56—C52 | 1.2 (7) |
P1—C1—Fe2—C2 | −120.8 (5) | Fe1—C55—C56—C52 | −58.3 (4) |
C5—C1—Fe2—C10 | −180.0 (3) | C54—C55—C56—Fe1 | 59.5 (4) |
C2—C1—Fe2—C10 | 62.5 (4) | C53—C52—C56—C55 | −1.2 (6) |
P1—C1—Fe2—C10 | −58.3 (5) | P4—C52—C56—C55 | 179.9 (4) |
C2—C1—Fe2—C5 | −117.5 (4) | Fe1—C52—C56—C55 | 59.3 (4) |
P1—C1—Fe2—C5 | 121.7 (5) | C53—C52—C56—Fe1 | −60.5 (4) |
C5—C1—Fe2—C3 | 79.9 (4) | P4—C52—C56—Fe1 | 120.6 (4) |
C2—C1—Fe2—C3 | −37.6 (3) | C47—Fe1—C56—C55 | −177.7 (3) |
P1—C1—Fe2—C3 | −158.4 (4) | C52—Fe1—C56—C55 | −120.0 (5) |
C5—C1—Fe2—C8 | −64.8 (5) | C51—Fe1—C56—C55 | 142.4 (4) |
C2—C1—Fe2—C8 | 177.7 (4) | C53—Fe1—C56—C55 | −80.9 (4) |
P1—C1—Fe2—C8 | 56.9 (5) | C54—Fe1—C56—C55 | −37.3 (4) |
C5—C1—Fe2—C4 | 37.3 (3) | C49—Fe1—C56—C55 | 61.2 (5) |
C2—C1—Fe2—C4 | −80.2 (4) | C50—Fe1—C56—C55 | 98.8 (4) |
P1—C1—Fe2—C4 | 159.1 (4) | C47—Fe1—C56—C52 | −57.7 (5) |
C8—C7—Fe2—C6 | −119.4 (5) | C51—Fe1—C56—C52 | −97.7 (3) |
C8—C7—Fe2—C1 | 147.0 (4) | C53—Fe1—C56—C52 | 39.0 (3) |
C6—C7—Fe2—C1 | −93.6 (3) | C55—Fe1—C56—C52 | 120.0 (5) |
C8—C7—Fe2—C2 | −175.1 (4) | C54—Fe1—C56—C52 | 82.7 (3) |
C6—C7—Fe2—C2 | −55.7 (5) | C49—Fe1—C56—C52 | −178.9 (4) |
C8—C7—Fe2—C10 | −79.7 (4) | C50—Fe1—C56—C52 | −141.3 (3) |
C6—C7—Fe2—C10 | 39.7 (3) | C47—P3—C57—C58 | 52.8 (5) |
C8—C7—Fe2—C5 | 102.5 (4) | C63—P3—C57—C58 | −58.2 (5) |
C6—C7—Fe2—C5 | −138.1 (3) | Pt2—P3—C57—C58 | 178.7 (4) |
C6—C7—Fe2—C8 | 119.4 (5) | C47—P3—C57—C62 | −129.4 (4) |
C8—C7—Fe2—C9 | −36.3 (3) | C63—P3—C57—C62 | 119.6 (4) |
C6—C7—Fe2—C9 | 83.1 (3) | Pt2—P3—C57—C62 | −3.5 (5) |
C8—C7—Fe2—C4 | 65.4 (5) | C62—C57—C58—C59 | 2.7 (8) |
C6—C7—Fe2—C4 | −175.2 (4) | P3—C57—C58—C59 | −179.5 (4) |
C3—C2—Fe2—C6 | 145.5 (4) | C57—C58—C59—C60 | −1.7 (9) |
C1—C2—Fe2—C6 | −95.6 (3) | C58—C59—C60—C61 | 0.9 (10) |
C3—C2—Fe2—C1 | −118.9 (5) | C59—C60—C61—C62 | −1.2 (10) |
C3—C2—Fe2—C7 | −178.9 (4) | C60—C61—C62—C57 | 2.2 (9) |
C1—C2—Fe2—C7 | −59.9 (5) | C58—C57—C62—C61 | −2.9 (8) |
C3—C2—Fe2—C10 | 101.3 (4) | P3—C57—C62—C61 | 179.2 (4) |
C1—C2—Fe2—C10 | −139.7 (3) | C47—P3—C63—C64 | 13.4 (5) |
C3—C2—Fe2—C5 | −80.1 (4) | C57—P3—C63—C64 | 127.0 (4) |
C1—C2—Fe2—C5 | 38.8 (3) | Pt2—P3—C63—C64 | −111.8 (4) |
C1—C2—Fe2—C3 | 118.9 (5) | C47—P3—C63—C68 | −168.2 (4) |
C3—C2—Fe2—C9 | 65.5 (5) | C57—P3—C63—C68 | −54.7 (4) |
C1—C2—Fe2—C9 | −175.6 (3) | Pt2—P3—C63—C68 | 66.5 (4) |
C3—C2—Fe2—C4 | −36.4 (4) | C68—C63—C64—C65 | 0.2 (8) |
C1—C2—Fe2—C4 | 82.5 (3) | P3—C63—C64—C65 | 178.5 (5) |
C9—C10—Fe2—C6 | 120.4 (5) | C63—C64—C65—C66 | −0.9 (10) |
C9—C10—Fe2—C1 | 179.2 (4) | C64—C65—C66—C67 | 1.7 (10) |
C6—C10—Fe2—C1 | 58.8 (4) | C65—C66—C67—C68 | −1.7 (9) |
C9—C10—Fe2—C7 | 80.5 (4) | C66—C67—C68—C63 | 0.9 (8) |
C6—C10—Fe2—C7 | −39.8 (3) | C64—C63—C68—C67 | −0.2 (8) |
C9—C10—Fe2—C2 | −142.2 (4) | P3—C63—C68—C67 | −178.5 (4) |
C6—C10—Fe2—C2 | 97.4 (3) | C52—P4—C69—C70 | 79.9 (5) |
C9—C10—Fe2—C3 | −98.8 (4) | C75—P4—C69—C70 | −25.8 (5) |
C6—C10—Fe2—C3 | 140.8 (3) | Pt2—P4—C69—C70 | −155.1 (4) |
C9—C10—Fe2—C8 | 37.0 (3) | C52—P4—C69—C74 | −94.2 (5) |
C6—C10—Fe2—C8 | −83.4 (3) | C75—P4—C69—C74 | 160.1 (4) |
C6—C10—Fe2—C9 | −120.4 (5) | Pt2—P4—C69—C74 | 30.8 (5) |
C9—C10—Fe2—C4 | −63.6 (5) | C74—C69—C70—C71 | 2.1 (9) |
C6—C10—Fe2—C4 | 176.0 (4) | P4—C69—C70—C71 | −172.0 (5) |
C4—C5—Fe2—C6 | 176.2 (4) | C69—C70—C71—C72 | −1.3 (10) |
C1—C5—Fe2—C6 | 56.9 (4) | C70—C71—C72—C73 | 1.1 (10) |
C4—C5—Fe2—C1 | 119.4 (5) | C71—C72—C73—C74 | −1.9 (10) |
C4—C5—Fe2—C7 | −142.8 (4) | C70—C69—C74—C73 | −2.8 (9) |
C1—C5—Fe2—C7 | 97.9 (3) | P4—C69—C74—C73 | 171.6 (5) |
C4—C5—Fe2—C2 | 80.3 (4) | C72—C73—C74—C69 | 2.8 (10) |
C1—C5—Fe2—C2 | −39.1 (3) | C52—P4—C75—C76 | 168.4 (5) |
C4—C5—Fe2—C3 | 36.5 (4) | C69—P4—C75—C76 | −87.7 (5) |
C1—C5—Fe2—C3 | −82.8 (3) | Pt2—P4—C75—C76 | 33.0 (6) |
C4—C5—Fe2—C8 | −99.0 (4) | C52—P4—C75—C80 | −14.5 (6) |
C1—C5—Fe2—C8 | 141.6 (3) | C69—P4—C75—C80 | 89.4 (6) |
C4—C5—Fe2—C9 | −61.5 (5) | Pt2—P4—C75—C80 | −149.9 (5) |
C1—C5—Fe2—C9 | 179.2 (4) | C80—C75—C76—C77 | −3.1 (11) |
C1—C5—Fe2—C4 | −119.4 (5) | P4—C75—C76—C77 | 174.2 (6) |
C4—C3—Fe2—C6 | −175.2 (4) | C75—C76—C77—C78 | 2.2 (13) |
C2—C3—Fe2—C6 | −54.9 (5) | C76—C77—C78—C79 | 0.0 (14) |
C4—C3—Fe2—C1 | −81.8 (4) | C77—C78—C79—C80 | −1.1 (14) |
C2—C3—Fe2—C1 | 38.5 (3) | C76—C75—C80—C79 | 1.9 (12) |
C4—C3—Fe2—C2 | −120.3 (5) | P4—C75—C80—C79 | −175.3 (7) |
C4—C3—Fe2—C10 | 145.0 (4) | C78—C79—C80—C75 | 0.1 (14) |
C2—C3—Fe2—C10 | −94.7 (4) | Pt2—S3—C81—C86 | 150.8 (5) |
C4—C3—Fe2—C5 | −37.3 (4) | Pt2—S3—C81—C82 | −29.6 (6) |
C2—C3—Fe2—C5 | 83.0 (4) | C86—C81—C82—F11 | 177.3 (5) |
C4—C3—Fe2—C8 | 64.6 (5) | S3—C81—C82—F11 | −2.3 (9) |
C2—C3—Fe2—C8 | −175.1 (4) | C86—C81—C82—C83 | −0.7 (9) |
C4—C3—Fe2—C9 | 101.4 (4) | S3—C81—C82—C83 | 179.7 (5) |
C2—C3—Fe2—C9 | −138.3 (4) | F11—C82—C83—F12 | 2.2 (9) |
C2—C3—Fe2—C4 | 120.3 (5) | C81—C82—C83—F12 | −179.8 (6) |
C9—C8—Fe2—C6 | −82.4 (4) | F11—C82—C83—C84 | −178.6 (6) |
C7—C8—Fe2—C6 | 38.4 (3) | C81—C82—C83—C84 | −0.5 (10) |
C9—C8—Fe2—C1 | −175.2 (4) | F12—C83—C84—C85 | −178.8 (7) |
C7—C8—Fe2—C1 | −54.4 (5) | C82—C83—C84—C85 | 2.0 (11) |
C9—C8—Fe2—C7 | −120.8 (5) | F12—C83—C84—F13 | 0.2 (10) |
C9—C8—Fe2—C10 | −37.5 (3) | C82—C83—C84—F13 | −179.0 (6) |
C7—C8—Fe2—C10 | 83.3 (4) | F13—C84—C85—F14 | −0.1 (12) |
C9—C8—Fe2—C5 | 143.9 (3) | C83—C84—C85—F14 | 178.9 (7) |
C7—C8—Fe2—C5 | −95.3 (4) | F13—C84—C85—C86 | 178.9 (6) |
C9—C8—Fe2—C3 | 60.4 (5) | C83—C84—C85—C86 | −2.1 (12) |
C7—C8—Fe2—C3 | −178.8 (4) | C82—C81—C86—F15 | −179.5 (6) |
C7—C8—Fe2—C9 | 120.8 (5) | S3—C81—C86—F15 | 0.1 (9) |
C9—C8—Fe2—C4 | 99.4 (4) | C82—C81—C86—C85 | 0.6 (10) |
C7—C8—Fe2—C4 | −139.8 (4) | S3—C81—C86—C85 | −179.8 (6) |
C8—C9—Fe2—C6 | 81.8 (4) | F14—C85—C86—F15 | −0.1 (11) |
C10—C9—Fe2—C6 | −37.7 (3) | C84—C85—C86—F15 | −179.1 (7) |
C8—C9—Fe2—C7 | 36.8 (3) | F14—C85—C86—C81 | 179.8 (7) |
C10—C9—Fe2—C7 | −82.7 (3) | C84—C85—C86—C81 | 0.8 (12) |
C8—C9—Fe2—C2 | 178.1 (4) | Pt2—S4—C87—C88 | 124.6 (4) |
C10—C9—Fe2—C2 | 58.6 (5) | Pt2—S4—C87—C92 | −59.0 (5) |
C8—C9—Fe2—C10 | 119.5 (5) | C92—C87—C88—F16 | −176.8 (5) |
C8—C9—Fe2—C5 | −60.4 (5) | S4—C87—C88—F16 | −0.1 (8) |
C10—C9—Fe2—C5 | −179.9 (4) | C92—C87—C88—C89 | 4.5 (9) |
C8—C9—Fe2—C3 | −142.2 (4) | S4—C87—C88—C89 | −178.9 (5) |
C10—C9—Fe2—C3 | 98.3 (4) | F16—C88—C89—F17 | 0.4 (9) |
C10—C9—Fe2—C8 | −119.5 (5) | C87—C88—C89—F17 | 179.2 (6) |
C8—C9—Fe2—C4 | −99.1 (4) | F16—C88—C89—C90 | 177.8 (6) |
C10—C9—Fe2—C4 | 141.5 (4) | C87—C88—C89—C90 | −3.4 (10) |
C3—C4—Fe2—C1 | 82.1 (4) | F17—C89—C90—F18 | −1.2 (11) |
C5—C4—Fe2—C1 | −38.1 (3) | C88—C89—C90—F18 | −178.5 (6) |
C3—C4—Fe2—C7 | −179.8 (4) | F17—C89—C90—C91 | 179.1 (6) |
C5—C4—Fe2—C7 | 60.0 (5) | C88—C89—C90—C91 | 1.7 (11) |
C3—C4—Fe2—C2 | 37.3 (4) | F18—C90—C91—F19 | 0.2 (10) |
C5—C4—Fe2—C2 | −82.9 (4) | C89—C90—C91—F19 | 180.0 (6) |
C3—C4—Fe2—C10 | −56.9 (5) | F18—C90—C91—C92 | 178.9 (6) |
C5—C4—Fe2—C10 | −177.1 (4) | C89—C90—C91—C92 | −1.4 (11) |
C3—C4—Fe2—C5 | 120.2 (5) | C90—C91—C92—F20 | −178.9 (6) |
C5—C4—Fe2—C3 | −120.2 (5) | F19—C91—C92—F20 | −0.3 (9) |
C3—C4—Fe2—C8 | −139.8 (4) | C90—C91—C92—C87 | 2.7 (10) |
C5—C4—Fe2—C8 | 100.0 (4) | F19—C91—C92—C87 | −178.6 (6) |
C3—C4—Fe2—C9 | −96.2 (4) | C88—C87—C92—F20 | 177.5 (5) |
C5—C4—Fe2—C9 | 143.6 (4) | S4—C87—C92—F20 | 0.9 (8) |
P4—Pt2—S3—C81 | 138.8 (2) | C88—C87—C92—C91 | −4.1 (9) |
S4—Pt2—S3—C81 | −52.5 (2) | S4—C87—C92—C91 | 179.3 (5) |
D—H···A | D—H | H···A | D···A | D—H···A |
C18—H18···F5 | 0.93 | 2.69 (1) | 3.61 | 176 |
C19—H19···F14 | 0.93 | 2.38 (1) | 3.22 | 151 |
C25—H25···F15 | 0.93 | 2.78 (1) | 3.70 | 169 |
C51—H51···F20 | 0.93 | 2.75 (1) | 3.65 | 163 |
C74—H74···F20 | 0.93 | 2.43 (1) | 3.31 | 158 |
C56—H56···F17i | 0.93 | 2.54 (1) | 3.03 | 113 |
C71—H71···F13i | 0.93 | 2.68 (1) | 3.50 | 148 |
C28—H28···F2i | 0.93 | 2.66 (1) | 3.50 | 151 |
C21—H21···F3ii | 0.93 | 2.56 (1) | 3.32 | 140 |
C13—H13···F16ii | 0.93 | 2.74 (1) | 3.23 | 114 |
C31—H31···F20iii | 0.93 | 2.71 (1) | 3.02 | 100 |
C54—H54···F3iv | 0.93 | 2.65 (1) | 3.42 | 141 |
C61—H61···F11iv | 0.93 | 2.45 (1) | 3.23 | 142 |
C48—H48···F10iv | 0.93 | 2.54 (1) | 3.39 | 153 |
C56—H56···F8v | 0.93 | 2.68 (1) | 3.46 | 142 |
C66—H66···F7vi | 0.93 | 2.72 (1) | 3.58 | 155 |
Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) −x+3/2, y−1/2, −z+3/2; (iii) x+1/2, −y+1/2, z−1/2; (iv) −x+1, −y+1, −z+1; (v) x−1, y, z; (vi) −x+3/2, y+1/2, −z+3/2. |
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