Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680101902X/ob6079sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680101902X/ob6079Isup2.hkl |
CCDC reference: 177205
Data collection: XSCANS (Siemens, 1996); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.
C24H20P+·C16H20B9− | Z = 4 |
Mr = 648.98 | F(000) = 1360 |
Triclinic, P1 | Dx = 1.179 Mg m−3 |
a = 10.063 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 19.007 (4) Å | Cell parameters from 37 reflections |
c = 20.344 (4) Å | θ = 2.2–10.7° |
α = 71.469 (14)° | µ = 0.10 mm−1 |
β = 83.522 (16)° | T = 160 K |
γ = 84.235 (16)° | Plate, colourless |
V = 3657.1 (13) Å3 | 0.90 × 0.30 × 0.10 mm |
Bruker P4 diffractometer | 4545 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.092 |
Graphite monochromator | θmax = 24.9°, θmin = 2.0° |
ω scans | h = −1→11 |
Absorption correction: ψ scan (North et al., 1968) | k = −21→20 |
Tmin = 0.925, Tmax = 0.990 | l = −23→23 |
14197 measured reflections | 3 standard reflections every 97 reflections |
11336 independent reflections | intensity decay: none |
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)] = 0.087 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.181 | H atoms treated by a mixture of independent and constrained refinement |
S = 0.97 | w = 1/[σ2(Fo2) + (0.0505P)2] where P = (Fo2 + 2Fc2)/3 |
11336 reflections | (Δ/σ)max < 0.001 |
764 parameters | Δρmax = 0.23 e Å−3 |
0 restraints | Δρmin = −0.30 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 | Occ. (<1) | |
B1 | 0.0959 (8) | 0.9255 (6) | −0.1659 (4) | 0.073 (3) | |
H1 | 0.0026 | 0.8999 | −0.1367 | 0.087* | |
B2 | 0.1183 (7) | 0.9581 (5) | −0.2579 (4) | 0.062 (3) | |
H2 | 0.0409 | 0.9522 | −0.2909 | 0.074* | |
B3 | 0.2074 (12) | 0.8847 (6) | −0.2108 (6) | 0.038 (3) | 0.60 |
H3 | 0.1889 | 0.8281 | −0.2123 | 0.046* | 0.60 |
B4 | 0.2575 (8) | 0.8948 (4) | −0.1370 (4) | 0.056 (2) | |
H4 | 0.2749 | 0.8461 | −0.0897 | 0.067* | |
B5 | 0.1870 (7) | 0.9815 (4) | −0.1342 (4) | 0.050 (2) | |
H5 | 0.1530 | 0.9911 | −0.0832 | 0.060* | |
B6 | 0.1027 (8) | 1.0232 (6) | −0.2126 (4) | 0.072 (3) | |
H6 | 0.0113 | 1.0625 | −0.2152 | 0.086* | |
C7 | 0.2849 (6) | 0.9515 (3) | −0.2776 (3) | 0.0395 (16) | |
C8 | 0.3642 (5) | 0.9163 (3) | −0.2095 (3) | 0.0327 (15) | |
B9 | 0.3564 (7) | 0.9729 (4) | −0.1619 (3) | 0.0371 (19) | |
H9 | 0.4395 | 0.9750 | −0.1304 | 0.045* | |
B10 | 0.2576 (8) | 1.0544 (4) | −0.2057 (3) | 0.048 (2) | |
H10 | 0.2690 | 1.1108 | −0.2015 | 0.058* | |
B11 | 0.2195 (7) | 1.0368 (4) | −0.2838 (4) | 0.047 (2) | |
H11 | 0.2090 | 1.0817 | −0.3346 | 0.056* | |
B12 | 0.3652 (18) | 1.0126 (11) | −0.2514 (9) | 0.051 (6) | 0.40 |
H12 | 0.4533 | 1.0438 | −0.2806 | 0.062* | 0.40 |
C71 | 0.3385 (6) | 0.9303 (3) | −0.3375 (3) | 0.0391 (16) | |
C72 | 0.3878 (6) | 0.9080 (3) | −0.3845 (3) | 0.0404 (17) | |
C73 | 0.4442 (6) | 0.8787 (4) | −0.4395 (3) | 0.0417 (17) | |
C74 | 0.4413 (6) | 0.9228 (4) | −0.5085 (3) | 0.0539 (19) | |
H74A | 0.4034 | 0.9726 | −0.5197 | 0.065* | |
C75 | 0.4950 (8) | 0.8930 (6) | −0.5612 (4) | 0.079 (3) | |
H75B | 0.4923 | 0.9227 | −0.6085 | 0.094* | |
C76 | 0.5519 (9) | 0.8211 (7) | −0.5454 (6) | 0.098 (4) | |
H76B | 0.5885 | 0.8015 | −0.5816 | 0.117* | |
C77 | 0.5551 (8) | 0.7792 (5) | −0.4789 (5) | 0.088 (3) | |
H77B | 0.5935 | 0.7296 | −0.4684 | 0.105* | |
C78 | 0.5031 (6) | 0.8067 (4) | −0.4245 (4) | 0.0547 (19) | |
H78B | 0.5080 | 0.7763 | −0.3775 | 0.066* | |
C81 | 0.4910 (6) | 0.8694 (3) | −0.2173 (3) | 0.0373 (16) | |
C82 | 0.6050 (7) | 0.9044 (4) | −0.2525 (3) | 0.0495 (18) | |
H82A | 0.6015 | 0.9570 | −0.2717 | 0.059* | |
C83 | 0.7244 (7) | 0.8622 (5) | −0.2597 (3) | 0.065 (2) | |
H83B | 0.8024 | 0.8863 | −0.2831 | 0.078* | |
C84 | 0.7299 (8) | 0.7849 (5) | −0.2327 (4) | 0.073 (3) | |
H84B | 0.8108 | 0.7562 | −0.2384 | 0.087* | |
C85 | 0.6193 (8) | 0.7512 (4) | −0.1983 (3) | 0.064 (2) | |
H85A | 0.6238 | 0.6985 | −0.1795 | 0.077* | |
C86 | 0.4976 (6) | 0.7919 (4) | −0.1896 (3) | 0.0454 (17) | |
H86B | 0.4209 | 0.7671 | −0.1653 | 0.054* | |
B1' | −0.2783 (8) | 0.5687 (5) | 0.6557 (4) | 0.056 (2) | |
H1' | −0.3646 | 0.5927 | 0.6233 | 0.067* | |
B2' | −0.2976 (8) | 0.5373 (5) | 0.7473 (4) | 0.057 (2) | |
H2' | −0.3969 | 0.5420 | 0.7772 | 0.068* | |
B3' | −0.2148 (9) | 0.6134 (5) | 0.7042 (5) | 0.037 (3) | 0.70 |
H3' | −0.2585 | 0.6696 | 0.7056 | 0.044* | 0.70 |
B4' | −0.1187 (7) | 0.6029 (4) | 0.6315 (4) | 0.045 (2) | |
H4' | −0.0977 | 0.6519 | 0.5845 | 0.055* | |
B5' | −0.1453 (7) | 0.5142 (4) | 0.6280 (4) | 0.044 (2) | |
H5' | −0.1431 | 0.5037 | 0.5768 | 0.053* | |
B6' | −0.2572 (8) | 0.4718 (5) | 0.7019 (4) | 0.059 (3) | |
H6' | −0.3309 | 0.4317 | 0.7013 | 0.071* | |
C7' | −0.1475 (5) | 0.5470 (3) | 0.7718 (3) | 0.0334 (15) | |
C8' | −0.0453 (6) | 0.5814 (3) | 0.7070 (3) | 0.0305 (15) | |
B9' | 0.0028 (7) | 0.5256 (4) | 0.6601 (3) | 0.0341 (18) | |
H9' | 0.1056 | 0.5248 | 0.6328 | 0.041* | |
B10' | −0.0864 (8) | 0.4431 (4) | 0.7017 (4) | 0.049 (2) | |
H10' | −0.0439 | 0.3876 | 0.6979 | 0.059* | |
B11' | −0.1787 (8) | 0.4615 (4) | 0.7775 (4) | 0.050 (2) | |
H11' | −0.1998 | 0.4172 | 0.8283 | 0.060* | |
B12' | −0.0440 (3) | 0.48435 (17) | 0.75325 (17) | 0.034 (6)* | 0.30 |
H12' | 0.0292 | 0.4500 | 0.7904 | 0.041* | 0.30 |
C71' | −0.1374 (3) | 0.56881 (17) | 0.83280 (17) | 0.0356 (16) | |
C72' | −0.1201 (3) | 0.58974 (17) | 0.87964 (17) | 0.0371 (16) | |
C73' | −0.0970 (3) | 0.61911 (17) | 0.93502 (17) | 0.0371 (16) | |
C74' | −0.0638 (3) | 0.69195 (17) | 0.92024 (17) | 0.0467 (17) | |
H74B | −0.0576 | 0.7233 | 0.8733 | 0.056* | |
C75' | −0.0395 (6) | 0.7197 (4) | 0.9727 (4) | 0.054 (2) | |
H75A | −0.0165 | 0.7697 | 0.9617 | 0.065* | |
C76' | −0.0487 (6) | 0.6747 (5) | 1.0406 (4) | 0.060 (2) | |
H76A | −0.0318 | 0.6936 | 1.0766 | 0.071* | |
C77' | −0.0818 (6) | 0.6033 (5) | 1.0566 (3) | 0.054 (2) | |
H77A | −0.0881 | 0.5728 | 1.1038 | 0.065* | |
C78' | −0.1064 (6) | 0.5746 (3) | 1.0048 (3) | 0.0441 (17) | |
H78A | −0.1297 | 0.5246 | 1.0167 | 0.053* | |
C81' | 0.0557 (6) | 0.6300 (3) | 0.7166 (3) | 0.0344 (15) | |
C82' | 0.0462 (7) | 0.7060 (4) | 0.6874 (3) | 0.0469 (18) | |
H82B | −0.0284 | 0.7290 | 0.6619 | 0.056* | |
C83' | 0.1432 (8) | 0.7500 (4) | 0.6941 (3) | 0.067 (2) | |
H83A | 0.1346 | 0.8026 | 0.6743 | 0.081* | |
C84' | 0.2532 (9) | 0.7153 (5) | 0.7306 (4) | 0.075 (3) | |
H84A | 0.3220 | 0.7441 | 0.7345 | 0.090* | |
C85' | 0.2628 (7) | 0.6411 (5) | 0.7605 (3) | 0.067 (2) | |
H85B | 0.3370 | 0.6183 | 0.7865 | 0.081* | |
C86' | 0.1651 (7) | 0.5967 (4) | 0.7540 (3) | 0.0495 (18) | |
H86A | 0.1735 | 0.5443 | 0.7749 | 0.059* | |
P1 | 0.46965 (15) | 0.74840 (9) | 0.06432 (8) | 0.0312 (4) | |
P2 | 0.11515 (16) | 0.75356 (9) | 0.43174 (8) | 0.0327 (4) | |
C111 | 0.56200 (12) | 0.82619 (7) | 0.01351 (5) | 0.0289 (14) | |
C112 | 0.63598 (13) | 0.82592 (8) | −0.04839 (5) | 0.0330 (15) | |
H112 | 0.6305 | 0.7865 | −0.0670 | 0.040* | |
C113 | 0.71798 (15) | 0.88341 (9) | −0.08307 (6) | 0.0383 (16) | |
H113 | 0.7685 | 0.8832 | −0.1254 | 0.046* | |
C114 | 0.72599 (16) | 0.94115 (9) | −0.05585 (6) | 0.0452 (17) | |
H114 | 0.7820 | 0.9804 | −0.0796 | 0.054* | |
C115 | 0.65201 (15) | 0.94141 (8) | 0.00605 (6) | 0.0499 (18) | |
H115 | 0.6575 | 0.9809 | 0.0247 | 0.060* | |
C116 | 0.57001 (13) | 0.88393 (7) | 0.04074 (5) | 0.0437 (17) | |
H116 | 0.5194 | 0.8841 | 0.0830 | 0.052* | |
C121 | 0.44377 (13) | 0.68889 (7) | 0.01497 (5) | 0.0288 (14) | |
C122 | 0.55249 (15) | 0.64605 (8) | −0.00389 (6) | 0.0363 (16) | |
H122 | 0.6392 | 0.6495 | 0.0086 | 0.044* | |
C123 | 0.53432 (17) | 0.59823 (8) | −0.04105 (6) | 0.0413 (17) | |
H123 | 0.6086 | 0.5690 | −0.0539 | 0.050* | |
C124 | 0.40742 (18) | 0.59326 (9) | −0.05934 (7) | 0.0473 (18) | |
H124 | 0.3950 | 0.5606 | −0.0847 | 0.057* | |
C125 | 0.29869 (17) | 0.63610 (9) | −0.04048 (6) | 0.0456 (17) | |
H125 | 0.2120 | 0.6327 | −0.0530 | 0.055* | |
C126 | 0.31687 (14) | 0.68391 (8) | −0.00333 (6) | 0.0376 (16) | |
H126 | 0.2426 | 0.7132 | 0.0096 | 0.045* | |
C131 | 0.31147 (10) | 0.78224 (6) | 0.09717 (5) | 0.0334 (15) | |
C132 | 0.24323 (12) | 0.84377 (7) | 0.05402 (5) | 0.0434 (17) | |
H132 | 0.2846 | 0.8704 | 0.0099 | 0.052* | |
C133 | 0.11448 (12) | 0.86642 (7) | 0.07536 (5) | 0.0512 (19) | |
H133 | 0.0678 | 0.9085 | 0.0459 | 0.061* | |
C134 | 0.05396 (10) | 0.82752 (7) | 0.13984 (5) | 0.0508 (18) | |
H134 | −0.0340 | 0.8430 | 0.1544 | 0.061* | |
C135 | 0.12219 (9) | 0.76599 (7) | 0.18299 (5) | 0.0437 (17) | |
H135 | 0.0808 | 0.7394 | 0.2271 | 0.052* | |
C136 | 0.25095 (9) | 0.74334 (6) | 0.16166 (5) | 0.0369 (16) | |
H136 | 0.2976 | 0.7013 | 0.1911 | 0.044* | |
C141 | 0.56709 (10) | 0.69264 (7) | 0.13350 (5) | 0.0328 (15) | |
C142 | 0.67825 (9) | 0.71943 (8) | 0.15004 (6) | 0.0422 (17) | |
H142 | 0.7032 | 0.7683 | 0.1249 | 0.051* | |
C143 | 0.75290 (10) | 0.67475 (9) | 0.20336 (6) | 0.0501 (18) | |
H143 | 0.8289 | 0.6931 | 0.2147 | 0.060* | |
C144 | 0.71639 (12) | 0.60328 (8) | 0.24013 (6) | 0.0519 (19) | |
H144 | 0.7674 | 0.5727 | 0.2766 | 0.062* | |
C145 | 0.60523 (13) | 0.57649 (7) | 0.22358 (6) | 0.0513 (19) | |
H145 | 0.5803 | 0.5276 | 0.2487 | 0.062* | |
C146 | 0.53058 (12) | 0.62117 (6) | 0.17027 (5) | 0.0394 (16) | |
H146 | 0.4546 | 0.6029 | 0.1590 | 0.047* | |
C211 | 0.04580 (13) | 0.81440 (7) | 0.48018 (6) | 0.0331 (15) | |
C212 | 0.13002 (15) | 0.85881 (8) | 0.49670 (6) | 0.0398 (16) | |
H212 | 0.2226 | 0.8576 | 0.4812 | 0.048* | |
C213 | 0.07871 (18) | 0.90498 (9) | 0.53587 (7) | 0.0481 (18) | |
H213 | 0.1363 | 0.9353 | 0.5472 | 0.058* | |
C214 | −0.05681 (18) | 0.90674 (9) | 0.55851 (7) | 0.0508 (19) | |
H214 | −0.0919 | 0.9383 | 0.5853 | 0.061* | |
C215 | −0.14104 (16) | 0.86233 (9) | 0.54199 (7) | 0.0500 (18) | |
H215 | −0.2337 | 0.8635 | 0.5575 | 0.060* | |
C216 | −0.08973 (14) | 0.81616 (8) | 0.50282 (6) | 0.0391 (16) | |
H216 | −0.1473 | 0.7858 | 0.4915 | 0.047* | |
C221 | 0.21849 (12) | 0.67811 (7) | 0.48269 (5) | 0.0347 (15) | |
C222 | 0.26199 (14) | 0.68113 (8) | 0.54414 (5) | 0.0369 (16) | |
H222 | 0.2344 | 0.7226 | 0.5602 | 0.044* | |
C223 | 0.34584 (16) | 0.62352 (9) | 0.58215 (5) | 0.0444 (17) | |
H223 | 0.3756 | 0.6256 | 0.6241 | 0.053* | |
C224 | 0.38618 (16) | 0.56289 (9) | 0.55870 (5) | 0.0464 (17) | |
H224 | 0.4435 | 0.5235 | 0.5847 | 0.056* | |
C225 | 0.34268 (15) | 0.55987 (7) | 0.49725 (5) | 0.0493 (18) | |
H225 | 0.3703 | 0.5184 | 0.4812 | 0.059* | |
C226 | 0.25884 (13) | 0.61748 (7) | 0.45924 (5) | 0.0423 (17) | |
H226 | 0.2291 | 0.6154 | 0.4172 | 0.051* | |
C231 | −0.02083 (10) | 0.71816 (7) | 0.40539 (6) | 0.0303 (15) | |
C232 | −0.06636 (12) | 0.64940 (8) | 0.44479 (6) | 0.0389 (16) | |
H232 | −0.0177 | 0.6181 | 0.4819 | 0.047* | |
C233 | −0.18315 (13) | 0.62637 (9) | 0.42993 (7) | 0.0465 (18) | |
H233 | −0.2143 | 0.5794 | 0.4569 | 0.056* | |
C234 | −0.25441 (11) | 0.67209 (10) | 0.37566 (8) | 0.0470 (18) | |
H234 | −0.3342 | 0.6564 | 0.3655 | 0.056* | |
C235 | −0.20889 (9) | 0.74086 (10) | 0.33625 (7) | 0.0448 (17) | |
H235 | −0.2576 | 0.7721 | 0.2992 | 0.054* | |
C236 | −0.09210 (10) | 0.76389 (8) | 0.35112 (6) | 0.0345 (15) | |
H236 | −0.0610 | 0.8109 | 0.3242 | 0.041* | |
C241 | 0.21704 (11) | 0.80628 (6) | 0.35698 (5) | 0.0380 (16) | |
C242 | 0.33419 (10) | 0.77427 (6) | 0.33215 (5) | 0.0465 (17) | |
H242 | 0.3630 | 0.7242 | 0.3553 | 0.056* | |
C243 | 0.40914 (10) | 0.81552 (6) | 0.27339 (5) | 0.064 (2) | |
H243 | 0.4892 | 0.7936 | 0.2564 | 0.076* | |
C244 | 0.36693 (12) | 0.88878 (6) | 0.23946 (5) | 0.069 (2) | |
H244 | 0.4182 | 0.9170 | 0.1993 | 0.083* | |
C245 | 0.24978 (13) | 0.92079 (6) | 0.26430 (6) | 0.059 (2) | |
H245 | 0.2209 | 0.9709 | 0.2411 | 0.070* | |
C246 | 0.17484 (12) | 0.87954 (6) | 0.32306 (5) | 0.0429 (17) | |
H246 | 0.0948 | 0.9014 | 0.3400 | 0.051* |
U11 | U22 | U33 | U12 | U13 | U23 | |
B1 | 0.040 (6) | 0.125 (9) | 0.058 (6) | −0.028 (6) | 0.019 (5) | −0.038 (6) |
B2 | 0.029 (5) | 0.116 (8) | 0.068 (6) | −0.004 (5) | −0.002 (4) | −0.066 (6) |
B3 | 0.043 (8) | 0.024 (7) | 0.054 (8) | 0.001 (6) | 0.002 (7) | −0.024 (6) |
B4 | 0.070 (6) | 0.058 (6) | 0.037 (5) | −0.016 (5) | 0.009 (5) | −0.012 (4) |
B5 | 0.049 (5) | 0.076 (6) | 0.027 (4) | −0.002 (5) | 0.004 (4) | −0.024 (4) |
B6 | 0.040 (5) | 0.129 (9) | 0.052 (6) | 0.030 (6) | −0.013 (5) | −0.042 (6) |
C7 | 0.028 (4) | 0.055 (4) | 0.042 (4) | 0.008 (3) | −0.008 (3) | −0.026 (4) |
C8 | 0.027 (4) | 0.033 (4) | 0.035 (4) | −0.002 (3) | 0.000 (3) | −0.007 (3) |
B9 | 0.047 (5) | 0.037 (5) | 0.032 (4) | −0.005 (4) | −0.004 (4) | −0.016 (4) |
B10 | 0.058 (6) | 0.049 (5) | 0.037 (5) | 0.013 (5) | −0.007 (4) | −0.016 (4) |
B11 | 0.054 (5) | 0.039 (5) | 0.044 (5) | 0.021 (4) | −0.012 (4) | −0.015 (4) |
B12 | 0.027 (11) | 0.096 (17) | 0.037 (12) | −0.029 (12) | −0.001 (10) | −0.023 (12) |
C71 | 0.034 (4) | 0.042 (4) | 0.049 (4) | −0.002 (3) | −0.011 (3) | −0.023 (3) |
C72 | 0.034 (4) | 0.045 (4) | 0.049 (4) | −0.007 (3) | −0.008 (4) | −0.021 (4) |
C73 | 0.035 (4) | 0.053 (5) | 0.046 (4) | −0.022 (4) | 0.012 (3) | −0.028 (4) |
C74 | 0.050 (5) | 0.071 (5) | 0.051 (5) | −0.023 (4) | 0.009 (4) | −0.031 (4) |
C75 | 0.058 (6) | 0.139 (9) | 0.064 (6) | −0.054 (6) | 0.019 (5) | −0.061 (6) |
C76 | 0.066 (7) | 0.162 (11) | 0.113 (8) | −0.057 (7) | 0.048 (7) | −0.114 (9) |
C77 | 0.057 (6) | 0.087 (7) | 0.147 (9) | −0.028 (5) | 0.052 (7) | −0.089 (7) |
C78 | 0.045 (5) | 0.048 (5) | 0.076 (5) | −0.020 (4) | 0.017 (4) | −0.028 (4) |
C81 | 0.039 (4) | 0.043 (4) | 0.033 (4) | 0.006 (4) | −0.011 (3) | −0.017 (3) |
C82 | 0.044 (5) | 0.055 (5) | 0.049 (4) | 0.010 (4) | −0.002 (4) | −0.021 (4) |
C83 | 0.049 (5) | 0.094 (7) | 0.056 (5) | −0.003 (5) | 0.004 (4) | −0.031 (5) |
C84 | 0.067 (6) | 0.098 (7) | 0.048 (5) | 0.032 (6) | −0.004 (5) | −0.028 (5) |
C85 | 0.078 (6) | 0.061 (5) | 0.050 (5) | 0.037 (5) | −0.010 (5) | −0.023 (4) |
C86 | 0.050 (5) | 0.049 (5) | 0.035 (4) | 0.008 (4) | −0.005 (3) | −0.013 (3) |
B1' | 0.037 (5) | 0.075 (6) | 0.064 (6) | 0.004 (5) | −0.025 (5) | −0.028 (5) |
B2' | 0.030 (5) | 0.094 (7) | 0.056 (6) | −0.002 (5) | 0.001 (4) | −0.040 (5) |
B3' | 0.030 (6) | 0.027 (6) | 0.060 (7) | 0.007 (5) | −0.010 (6) | −0.024 (6) |
B4' | 0.051 (5) | 0.047 (5) | 0.033 (4) | 0.007 (4) | −0.013 (4) | −0.005 (4) |
B5' | 0.051 (5) | 0.058 (5) | 0.029 (4) | −0.020 (4) | 0.000 (4) | −0.019 (4) |
B6' | 0.052 (6) | 0.086 (7) | 0.055 (5) | −0.049 (5) | 0.017 (5) | −0.038 (5) |
C7' | 0.030 (4) | 0.039 (4) | 0.033 (4) | 0.001 (3) | 0.001 (3) | −0.017 (3) |
C8' | 0.036 (4) | 0.027 (3) | 0.027 (3) | 0.000 (3) | −0.005 (3) | −0.007 (3) |
B9' | 0.033 (4) | 0.043 (5) | 0.030 (4) | −0.006 (4) | 0.002 (4) | −0.017 (4) |
B10' | 0.067 (6) | 0.039 (5) | 0.040 (5) | −0.010 (4) | 0.010 (4) | −0.016 (4) |
B11' | 0.072 (6) | 0.040 (5) | 0.044 (5) | −0.029 (5) | 0.014 (5) | −0.019 (4) |
C71' | 0.034 (4) | 0.037 (4) | 0.033 (4) | −0.004 (3) | 0.006 (3) | −0.010 (3) |
C72' | 0.028 (4) | 0.054 (4) | 0.031 (4) | −0.002 (3) | 0.003 (3) | −0.016 (3) |
C73' | 0.022 (4) | 0.048 (4) | 0.042 (4) | 0.009 (3) | −0.001 (3) | −0.019 (4) |
C74' | 0.040 (4) | 0.047 (5) | 0.054 (4) | 0.002 (4) | −0.015 (4) | −0.015 (4) |
C75' | 0.038 (4) | 0.054 (5) | 0.084 (6) | 0.008 (4) | −0.020 (4) | −0.039 (5) |
C76' | 0.039 (5) | 0.098 (7) | 0.066 (6) | 0.020 (5) | −0.019 (4) | −0.061 (5) |
C77' | 0.046 (5) | 0.087 (6) | 0.036 (4) | 0.010 (5) | −0.004 (4) | −0.030 (4) |
C78' | 0.033 (4) | 0.048 (4) | 0.050 (4) | 0.008 (3) | 0.002 (4) | −0.019 (4) |
C81' | 0.038 (4) | 0.035 (4) | 0.030 (4) | −0.007 (3) | −0.002 (3) | −0.009 (3) |
C82' | 0.060 (5) | 0.047 (5) | 0.039 (4) | −0.017 (4) | −0.001 (4) | −0.017 (4) |
C83' | 0.098 (7) | 0.063 (5) | 0.045 (5) | −0.037 (5) | −0.004 (5) | −0.012 (4) |
C84' | 0.090 (7) | 0.097 (7) | 0.049 (5) | −0.053 (6) | −0.003 (5) | −0.025 (5) |
C85' | 0.060 (5) | 0.106 (7) | 0.044 (5) | −0.026 (5) | −0.011 (4) | −0.026 (5) |
C86' | 0.049 (5) | 0.056 (5) | 0.046 (4) | −0.019 (4) | −0.009 (4) | −0.014 (4) |
P1 | 0.0272 (10) | 0.0356 (10) | 0.0301 (9) | −0.0011 (8) | 0.0020 (8) | −0.0110 (8) |
P2 | 0.0315 (10) | 0.0346 (10) | 0.0320 (10) | −0.0069 (8) | −0.0019 (8) | −0.0090 (8) |
C111 | 0.028 (4) | 0.029 (3) | 0.033 (3) | −0.001 (3) | −0.001 (3) | −0.016 (3) |
C112 | 0.029 (4) | 0.034 (4) | 0.036 (4) | −0.002 (3) | 0.000 (3) | −0.013 (3) |
C113 | 0.032 (4) | 0.047 (4) | 0.034 (4) | −0.005 (3) | −0.004 (3) | −0.008 (3) |
C114 | 0.042 (4) | 0.043 (4) | 0.045 (4) | −0.013 (3) | 0.001 (3) | −0.004 (3) |
C115 | 0.062 (5) | 0.033 (4) | 0.056 (4) | −0.013 (4) | 0.004 (4) | −0.015 (3) |
C116 | 0.048 (4) | 0.047 (4) | 0.035 (4) | −0.008 (4) | 0.012 (3) | −0.016 (3) |
C121 | 0.027 (4) | 0.028 (4) | 0.027 (3) | 0.007 (3) | −0.004 (3) | −0.004 (3) |
C122 | 0.027 (4) | 0.039 (4) | 0.040 (4) | 0.001 (3) | 0.002 (3) | −0.011 (3) |
C123 | 0.042 (4) | 0.038 (4) | 0.040 (4) | 0.010 (3) | 0.001 (3) | −0.013 (3) |
C124 | 0.052 (5) | 0.043 (4) | 0.055 (4) | 0.007 (4) | −0.013 (4) | −0.028 (4) |
C125 | 0.042 (4) | 0.050 (4) | 0.050 (4) | −0.004 (4) | −0.012 (4) | −0.021 (4) |
C126 | 0.029 (4) | 0.043 (4) | 0.039 (4) | 0.004 (3) | 0.002 (3) | −0.014 (3) |
C131 | 0.032 (4) | 0.037 (4) | 0.030 (3) | 0.002 (3) | −0.002 (3) | −0.010 (3) |
C132 | 0.040 (4) | 0.044 (4) | 0.041 (4) | −0.002 (3) | 0.008 (3) | −0.011 (3) |
C133 | 0.047 (5) | 0.040 (4) | 0.063 (5) | 0.012 (4) | 0.002 (4) | −0.018 (4) |
C134 | 0.035 (4) | 0.057 (5) | 0.065 (5) | 0.004 (4) | 0.008 (4) | −0.030 (4) |
C135 | 0.042 (4) | 0.045 (4) | 0.042 (4) | −0.008 (3) | 0.020 (3) | −0.016 (3) |
C136 | 0.041 (4) | 0.035 (4) | 0.038 (4) | −0.005 (3) | 0.000 (3) | −0.016 (3) |
C141 | 0.024 (4) | 0.048 (4) | 0.025 (3) | −0.001 (3) | 0.001 (3) | −0.012 (3) |
C142 | 0.038 (4) | 0.054 (4) | 0.040 (4) | −0.008 (4) | 0.002 (3) | −0.022 (3) |
C143 | 0.044 (4) | 0.068 (5) | 0.045 (4) | 0.000 (4) | −0.007 (4) | −0.028 (4) |
C144 | 0.041 (4) | 0.076 (5) | 0.040 (4) | 0.017 (4) | −0.013 (4) | −0.022 (4) |
C145 | 0.039 (4) | 0.059 (5) | 0.041 (4) | −0.002 (4) | −0.003 (4) | 0.005 (4) |
C146 | 0.026 (4) | 0.055 (4) | 0.036 (4) | −0.002 (3) | −0.005 (3) | −0.010 (3) |
C211 | 0.035 (4) | 0.036 (4) | 0.031 (4) | −0.008 (3) | −0.007 (3) | −0.011 (3) |
C212 | 0.030 (4) | 0.042 (4) | 0.053 (4) | 0.001 (3) | −0.010 (3) | −0.022 (3) |
C213 | 0.047 (5) | 0.050 (4) | 0.054 (4) | −0.012 (4) | −0.008 (4) | −0.023 (4) |
C214 | 0.066 (5) | 0.047 (4) | 0.047 (4) | −0.004 (4) | 0.000 (4) | −0.026 (4) |
C215 | 0.044 (4) | 0.051 (5) | 0.058 (5) | −0.001 (4) | 0.000 (4) | −0.024 (4) |
C216 | 0.040 (4) | 0.041 (4) | 0.041 (4) | −0.008 (3) | 0.001 (3) | −0.020 (3) |
C221 | 0.033 (4) | 0.035 (4) | 0.038 (4) | −0.002 (3) | −0.001 (3) | −0.016 (3) |
C222 | 0.032 (4) | 0.040 (4) | 0.040 (4) | −0.006 (3) | −0.001 (3) | −0.014 (3) |
C223 | 0.034 (4) | 0.058 (5) | 0.037 (4) | −0.003 (4) | −0.002 (3) | −0.009 (3) |
C224 | 0.033 (4) | 0.039 (4) | 0.062 (5) | −0.003 (3) | 0.001 (4) | −0.009 (4) |
C225 | 0.038 (4) | 0.049 (4) | 0.066 (5) | 0.000 (4) | −0.001 (4) | −0.027 (4) |
C226 | 0.043 (4) | 0.040 (4) | 0.047 (4) | −0.009 (3) | 0.001 (3) | −0.018 (3) |
C231 | 0.029 (4) | 0.036 (4) | 0.032 (4) | −0.003 (3) | 0.001 (3) | −0.021 (3) |
C232 | 0.041 (4) | 0.043 (4) | 0.034 (4) | −0.015 (3) | 0.002 (3) | −0.012 (3) |
C233 | 0.049 (4) | 0.059 (5) | 0.035 (4) | −0.023 (4) | 0.005 (3) | −0.016 (3) |
C234 | 0.043 (4) | 0.064 (5) | 0.045 (4) | −0.021 (4) | 0.002 (4) | −0.028 (4) |
C235 | 0.048 (4) | 0.051 (4) | 0.044 (4) | −0.006 (4) | −0.008 (4) | −0.023 (4) |
C236 | 0.041 (4) | 0.035 (4) | 0.033 (4) | −0.002 (3) | −0.001 (3) | −0.020 (3) |
C241 | 0.035 (4) | 0.042 (4) | 0.035 (4) | −0.015 (3) | −0.004 (3) | −0.006 (3) |
C242 | 0.037 (4) | 0.053 (5) | 0.048 (4) | −0.010 (4) | 0.002 (4) | −0.012 (4) |
C243 | 0.046 (5) | 0.100 (6) | 0.044 (4) | −0.026 (5) | 0.011 (4) | −0.021 (4) |
C244 | 0.053 (5) | 0.108 (7) | 0.045 (5) | −0.049 (5) | 0.001 (4) | −0.010 (5) |
C245 | 0.050 (5) | 0.066 (5) | 0.048 (4) | −0.028 (4) | −0.014 (4) | 0.009 (4) |
C246 | 0.035 (4) | 0.048 (4) | 0.040 (4) | −0.021 (3) | −0.005 (3) | −0.001 (3) |
B1—B2 | 1.769 (11) | B1'—B6' | 1.784 (11) |
B1—B3 | 1.655 (13) | B1'—H1' | 1.1200 |
B1—B4 | 1.771 (11) | B2'—B3' | 1.681 (12) |
B1—B5 | 1.776 (11) | B2'—B6' | 1.764 (10) |
B1—B6 | 1.802 (12) | B2'—C7' | 1.687 (9) |
B1—H1 | 1.1200 | B2'—B11' | 1.773 (11) |
B2—B3 | 1.663 (14) | B2'—H2' | 1.1200 |
B2—B6 | 1.750 (11) | B3'—B4' | 1.729 (11) |
B2—C7 | 1.681 (9) | B3'—C7' | 1.697 (11) |
B2—B11 | 1.799 (11) | B3'—C8' | 1.754 (10) |
B2—H2 | 1.1200 | B3'—H3' | 1.1200 |
B3—B4 | 1.707 (13) | B4'—B5' | 1.757 (10) |
B3—C7 | 1.713 (13) | B4'—C8' | 1.695 (8) |
B3—C8 | 1.750 (13) | B4'—B9' | 1.802 (9) |
B3—H3 | 1.1200 | B4'—H4' | 1.1200 |
B4—B5 | 1.743 (11) | B5'—B6' | 1.791 (10) |
B4—C8 | 1.685 (9) | B5'—B9' | 1.752 (9) |
B4—B9 | 1.777 (10) | B5'—B10' | 1.783 (10) |
B4—H4 | 1.1200 | B5'—H5' | 1.1200 |
B5—B6 | 1.805 (10) | B6'—B10' | 1.751 (11) |
B5—B9 | 1.742 (10) | B6'—B11' | 1.754 (10) |
B5—B10 | 1.795 (10) | B6'—H6' | 1.1200 |
B5—H5 | 1.1200 | C7'—C71' | 1.444 (6) |
B6—B10 | 1.756 (11) | C7'—C8' | 1.582 (7) |
B6—B11 | 1.729 (10) | C7'—B11' | 1.652 (8) |
B6—H6 | 1.1200 | C7'—B12' | 1.610 (6) |
C7—C71 | 1.433 (8) | C8'—C81' | 1.507 (7) |
C7—C8 | 1.600 (7) | C8'—B9' | 1.644 (8) |
C7—B11 | 1.659 (8) | C8'—B12' | 1.784 (6) |
C7—B12 | 1.721 (18) | B9'—B10' | 1.802 (9) |
C8—C81 | 1.504 (7) | B9'—B12' | 1.831 (7) |
C8—B9 | 1.651 (8) | B9'—H9' | 1.1200 |
C8—B12 | 1.76 (2) | B10'—B11' | 1.822 (9) |
B9—B10 | 1.787 (10) | B10'—B12' | 1.609 (8) |
B9—B12 | 1.732 (18) | B10'—H10' | 1.1200 |
B9—H9 | 1.1200 | B11'—B12' | 1.449 (8) |
B10—B11 | 1.812 (10) | B11'—H11' | 1.1200 |
B10—B12 | 1.655 (19) | B12'—H12' | 1.1200 |
B10—H10 | 1.1200 | C71'—C72' | 1.1784 |
B11—B12 | 1.638 (18) | C72'—C73' | 1.4559 |
B11—H11 | 1.1200 | C73'—C74' | 1.3875 |
B12—H12 | 1.1200 | C73'—C78' | 1.401 (6) |
C71—C72 | 1.204 (7) | C74'—C75' | 1.385 (7) |
C72—C73 | 1.440 (8) | C74'—H74B | 0.9500 |
C73—C74 | 1.388 (8) | C75'—C76' | 1.373 (9) |
C73—C78 | 1.390 (8) | C75'—H75A | 0.9500 |
C74—C75 | 1.399 (9) | C76'—C77' | 1.357 (9) |
C74—H74A | 0.9500 | C76'—H76A | 0.9500 |
C75—C76 | 1.380 (11) | C77'—C78' | 1.386 (8) |
C75—H75B | 0.9500 | C77'—H77A | 0.9500 |
C76—C77 | 1.336 (11) | C78'—H78A | 0.9500 |
C76—H76B | 0.9500 | C81'—C82' | 1.374 (7) |
C77—C78 | 1.398 (9) | C81'—C86' | 1.390 (8) |
C77—H77B | 0.9500 | C82'—C83' | 1.394 (8) |
C78—H78B | 0.9500 | C82'—H82B | 0.9500 |
C81—C82 | 1.391 (8) | C83'—C84' | 1.393 (9) |
C81—C86 | 1.397 (7) | C83'—H83A | 0.9500 |
C82—C83 | 1.396 (8) | C84'—C85' | 1.345 (9) |
C82—H82A | 0.9500 | C84'—H84A | 0.9500 |
C83—C84 | 1.392 (9) | C85'—C86' | 1.400 (8) |
C83—H83B | 0.9500 | C85'—H85B | 0.9500 |
C84—C85 | 1.350 (9) | C86'—H86A | 0.9500 |
C84—H84B | 0.9500 | P1—C121 | 1.7875 (18) |
C85—C86 | 1.407 (8) | P1—C111 | 1.7905 (19) |
C85—H85A | 0.9500 | P1—C141 | 1.7944 (19) |
C86—H86B | 0.9500 | P1—C131 | 1.7949 (18) |
B1'—B2' | 1.762 (11) | P2—C231 | 1.787 (2) |
B1'—B3' | 1.701 (11) | P2—C211 | 1.7895 (18) |
B1'—B4' | 1.753 (10) | P2—C221 | 1.792 (2) |
B1'—B5' | 1.761 (10) | P2—C241 | 1.8039 (19) |
B3—B1—B2 | 58.0 (5) | B6'—B1'—H1' | 122.1 |
B3—B1—B4 | 59.7 (5) | B3'—B2'—C7' | 60.5 (5) |
B2—B1—B4 | 106.2 (5) | B3'—B2'—B1' | 59.1 (5) |
B3—B1—B5 | 106.2 (6) | C7'—B2'—B1' | 104.7 (5) |
B2—B1—B5 | 107.5 (6) | B3'—B2'—B6' | 107.7 (6) |
B4—B1—B5 | 58.9 (4) | C7'—B2'—B6' | 102.4 (5) |
B3—B1—B6 | 104.1 (6) | B1'—B2'—B6' | 60.8 (4) |
B2—B1—B6 | 58.7 (5) | B3'—B2'—B11' | 108.6 (6) |
B4—B1—B6 | 106.0 (6) | C7'—B2'—B11' | 57.0 (4) |
B5—B1—B6 | 60.6 (5) | B1'—B2'—B11' | 108.6 (5) |
B3—B1—H1 | 123.9 | B6'—B2'—B11' | 59.4 (4) |
B2—B1—H1 | 122.8 | B3'—B2'—H2' | 120.8 |
B4—B1—H1 | 122.7 | C7'—B2'—H2' | 125.6 |
B5—B1—H1 | 121.8 | B1'—B2'—H2' | 122.0 |
B6—B1—H1 | 123.3 | B6'—B2'—H2' | 123.2 |
B3—B2—C7 | 61.6 (5) | B11'—B2'—H2' | 121.7 |
B3—B2—B6 | 106.1 (6) | B2'—B3'—C7' | 59.9 (5) |
C7—B2—B6 | 101.6 (5) | B2'—B3'—B1' | 62.8 (5) |
B3—B2—B1 | 57.5 (6) | C7'—B3'—B1' | 107.0 (6) |
C7—B2—B1 | 105.3 (6) | B2'—B3'—B4' | 111.8 (6) |
B6—B2—B1 | 61.6 (5) | C7'—B3'—B4' | 104.2 (6) |
B3—B2—B11 | 108.3 (6) | B1'—B3'—B4' | 61.5 (5) |
C7—B2—B11 | 56.8 (4) | B2'—B3'—C8' | 104.1 (6) |
B6—B2—B11 | 58.3 (4) | C7'—B3'—C8' | 54.6 (4) |
B1—B2—B11 | 108.7 (5) | B1'—B3'—C8' | 104.7 (6) |
B3—B2—H2 | 121.5 | B4'—B3'—C8' | 58.2 (4) |
C7—B2—H2 | 125.0 | B2'—B3'—H3' | 119.9 |
B6—B2—H2 | 124.1 | C7'—B3'—H3' | 124.9 |
B1—B2—H2 | 121.8 | B1'—B3'—H3' | 121.0 |
B11—B2—H2 | 122.0 | B4'—B3'—H3' | 121.0 |
B1—B3—B2 | 64.5 (6) | C8'—B3'—H3' | 126.6 |
B1—B3—B4 | 63.6 (6) | C8'—B4'—B3' | 61.6 (4) |
B2—B3—B4 | 114.3 (7) | C8'—B4'—B1' | 104.9 (5) |
B1—B3—C7 | 109.1 (7) | B3'—B4'—B1' | 58.5 (5) |
B2—B3—C7 | 59.7 (5) | C8'—B4'—B5' | 101.6 (5) |
B4—B3—C7 | 104.8 (7) | B3'—B4'—B5' | 106.4 (6) |
B1—B3—C8 | 107.8 (7) | B1'—B4'—B5' | 60.2 (4) |
B2—B3—C8 | 105.5 (7) | C8'—B4'—B9' | 56.0 (3) |
B4—B3—C8 | 58.3 (5) | B3'—B4'—B9' | 107.9 (5) |
C7—B3—C8 | 55.0 (4) | B1'—B4'—B9' | 107.5 (5) |
B1—B3—H3 | 118.4 | B5'—B4'—B9' | 59.0 (4) |
B2—B3—H3 | 118.7 | C8'—B4'—H4' | 125.3 |
B4—B3—H3 | 119.9 | B3'—B4'—H4' | 121.1 |
C7—B3—H3 | 124.9 | B1'—B4'—H4' | 122.4 |
C8—B3—H3 | 125.7 | B5'—B4'—H4' | 124.1 |
C8—B4—B3 | 62.1 (5) | B9'—B4'—H4' | 122.5 |
C8—B4—B5 | 103.1 (5) | B9'—B5'—B4' | 61.8 (4) |
B3—B4—B5 | 105.4 (6) | B9'—B5'—B1' | 109.4 (5) |
C8—B4—B1 | 105.5 (5) | B4'—B5'—B1' | 59.8 (4) |
B3—B4—B1 | 56.8 (5) | B9'—B5'—B10' | 61.3 (4) |
B5—B4—B1 | 60.7 (5) | B4'—B5'—B10' | 111.1 (5) |
C8—B4—B9 | 56.9 (4) | B1'—B5'—B10' | 109.4 (5) |
B3—B4—B9 | 108.0 (6) | B9'—B5'—B6' | 106.8 (5) |
B5—B4—B9 | 59.3 (4) | B4'—B5'—B6' | 107.4 (5) |
B1—B4—B9 | 108.2 (6) | B1'—B5'—B6' | 60.3 (4) |
C8—B4—H4 | 124.1 | B10'—B5'—B6' | 58.7 (4) |
B3—B4—H4 | 122.1 | B9'—B5'—H5' | 120.9 |
B5—B4—H4 | 123.8 | B4'—B5'—H5' | 120.5 |
B1—B4—H4 | 122.5 | B1'—B5'—H5' | 121.0 |
B9—B4—H4 | 121.9 | B10'—B5'—H5' | 120.3 |
B9—B5—B4 | 61.3 (4) | B6'—B5'—H5' | 123.4 |
B9—B5—B10 | 60.7 (4) | B11'—B6'—B2' | 60.5 (4) |
B4—B5—B10 | 110.5 (5) | B11'—B6'—B10' | 62.6 (4) |
B9—B5—B1 | 109.5 (5) | B2'—B6'—B10' | 111.5 (5) |
B4—B5—B1 | 60.4 (5) | B11'—B6'—B1' | 108.4 (5) |
B10—B5—B1 | 109.8 (5) | B2'—B6'—B1' | 59.5 (4) |
B9—B5—B6 | 105.5 (5) | B10'—B6'—B1' | 109.8 (5) |
B4—B5—B6 | 107.1 (5) | B11'—B6'—B5' | 108.4 (5) |
B10—B5—B6 | 58.4 (4) | B2'—B6'—B5' | 106.7 (6) |
B1—B5—B6 | 60.4 (5) | B10'—B6'—B5' | 60.4 (4) |
B9—B5—H5 | 121.7 | B1'—B6'—B5' | 59.0 (4) |
B4—B5—H5 | 120.7 | B11'—B6'—H6' | 120.7 |
B10—B5—H5 | 120.5 | B2'—B6'—H6' | 121.4 |
B1—B5—H5 | 120.3 | B10'—B6'—H6' | 118.9 |
B6—B5—H5 | 124.0 | B1'—B6'—H6' | 121.9 |
B11—B6—B2 | 62.3 (4) | B5'—B6'—H6' | 122.9 |
B11—B6—B10 | 62.7 (4) | C71'—C7'—C8' | 115.9 (4) |
B2—B6—B10 | 112.8 (5) | C71'—C7'—B12' | 121.2 (4) |
B11—B6—B1 | 110.4 (6) | C8'—C7'—B12' | 67.9 (3) |
B2—B6—B1 | 59.7 (5) | C71'—C7'—B11' | 121.9 (5) |
B10—B6—B1 | 110.5 (6) | C8'—C7'—B11' | 111.6 (4) |
B11—B6—B5 | 109.1 (6) | B12'—C7'—B11' | 52.7 (3) |
B2—B6—B5 | 107.1 (6) | C71'—C7'—B2' | 121.3 (4) |
B10—B6—B5 | 60.5 (4) | C8'—C7'—B2' | 111.9 (5) |
B1—B6—B5 | 59.0 (5) | B12'—C7'—B2' | 106.9 (4) |
B11—B6—H6 | 119.4 | B11'—C7'—B2' | 64.1 (4) |
B2—B6—H6 | 120.5 | C71'—C7'—B3' | 115.6 (5) |
B10—B6—H6 | 118.5 | C8'—C7'—B3' | 64.5 (4) |
B1—B6—H6 | 121.3 | B12'—C7'—B3' | 117.0 (4) |
B5—B6—H6 | 123.0 | B11'—C7'—B3' | 113.8 (5) |
C71—C7—C8 | 115.9 (5) | B2'—C7'—B3' | 59.6 (5) |
C71—C7—B11 | 122.3 (5) | C81'—C8'—C7' | 116.9 (4) |
C8—C7—B11 | 111.7 (5) | C81'—C8'—B9' | 118.5 (5) |
C71—C7—B2 | 120.3 (5) | C7'—C8'—B9' | 113.7 (4) |
C8—C7—B2 | 111.8 (5) | C81'—C8'—B4' | 121.1 (5) |
B11—C7—B2 | 65.2 (4) | C7'—C8'—B4' | 111.2 (5) |
C71—C7—B3 | 116.5 (6) | B9'—C8'—B4' | 65.3 (4) |
C8—C7—B3 | 63.7 (5) | C81'—C8'—B3' | 119.5 (5) |
B11—C7—B3 | 112.7 (6) | C7'—C8'—B3' | 60.9 (4) |
B2—C7—B3 | 58.6 (5) | B9'—C8'—B3' | 114.4 (5) |
C71—C7—B12 | 120.4 (7) | B4'—C8'—B3' | 60.2 (4) |
C8—C7—B12 | 63.7 (7) | C81'—C8'—B12' | 122.0 (4) |
B11—C7—B12 | 57.9 (7) | C7'—C8'—B12' | 56.8 (3) |
B2—C7—B12 | 111.8 (7) | B9'—C8'—B12' | 64.4 (3) |
B3—C7—B12 | 114.2 (8) | B4'—C8'—B12' | 111.9 (4) |
C81—C8—C7 | 116.2 (4) | B3'—C8'—B12' | 105.7 (5) |
C81—C8—B9 | 120.4 (5) | C8'—B9'—B5' | 103.9 (5) |
C7—C8—B9 | 112.1 (5) | C8'—B9'—B10' | 105.2 (5) |
C81—C8—B4 | 122.5 (5) | B5'—B9'—B10' | 60.2 (4) |
C7—C8—B4 | 111.1 (5) | C8'—B9'—B4' | 58.7 (3) |
B9—C8—B4 | 64.3 (4) | B5'—B9'—B4' | 59.2 (4) |
C81—C8—B3 | 120.7 (5) | B10'—B9'—B4' | 108.2 (5) |
C7—C8—B3 | 61.3 (5) | C8'—B9'—B12' | 61.5 (3) |
B9—C8—B3 | 111.9 (5) | B5'—B9'—B12' | 98.8 (4) |
B4—C8—B3 | 59.6 (5) | B10'—B9'—B12' | 52.6 (3) |
C81—C8—B12 | 117.5 (7) | B4'—B9'—B12' | 105.0 (4) |
C7—C8—B12 | 61.5 (6) | C8'—B9'—H9' | 122.4 |
B9—C8—B12 | 61.0 (6) | B5'—B9'—H9' | 125.4 |
B4—C8—B12 | 112.7 (7) | B10'—B9'—H9' | 123.3 |
B3—C8—B12 | 110.7 (7) | B4'—B9'—H9' | 121.6 |
C8—B9—B12 | 62.5 (7) | B12'—B9'—H9' | 126.9 |
C8—B9—B5 | 104.5 (5) | B12'—B10'—B6' | 98.8 (4) |
B12—B9—B5 | 105.1 (7) | B12'—B10'—B9' | 64.6 (3) |
C8—B9—B10 | 106.4 (5) | B6'—B10'—B9' | 106.4 (5) |
B12—B9—B10 | 56.1 (7) | B12'—B10'—B5' | 106.6 (5) |
B5—B9—B10 | 61.1 (4) | B6'—B10'—B5' | 60.9 (4) |
C8—B9—B4 | 58.7 (4) | B9'—B10'—B5' | 58.5 (4) |
B12—B9—B4 | 109.5 (8) | B12'—B10'—B11' | 49.5 (3) |
B5—B9—B4 | 59.4 (4) | B6'—B10'—B11' | 58.8 (4) |
B10—B9—B4 | 109.4 (5) | B9'—B10'—B11' | 103.8 (5) |
C8—B9—H9 | 122.8 | B5'—B10'—B11' | 105.8 (5) |
B12—B9—H9 | 122.2 | B12'—B10'—H10' | 126.1 |
B5—B9—H9 | 123.7 | B6'—B10'—H10' | 124.3 |
B10—B9—H9 | 122.2 | B9'—B10'—H10' | 120.9 |
B4—B9—H9 | 120.7 | B5'—B10'—H10' | 121.4 |
B12—B10—B6 | 103.3 (8) | B11'—B10'—H10' | 126.5 |
B12—B10—B9 | 60.3 (7) | B12'—B11'—C7' | 62.2 (4) |
B6—B10—B9 | 105.6 (6) | B12'—B11'—B6' | 105.3 (5) |
B12—B10—B5 | 106.0 (8) | C7'—B11'—B6' | 104.4 (5) |
B6—B10—B5 | 61.1 (4) | B12'—B11'—B2' | 110.2 (5) |
B9—B10—B5 | 58.2 (4) | C7'—B11'—B2' | 58.9 (4) |
B12—B10—B11 | 56.1 (6) | B6'—B11'—B2' | 60.0 (5) |
B6—B10—B11 | 57.9 (4) | B12'—B11'—B10' | 57.6 (4) |
B9—B10—B11 | 104.0 (5) | C7'—B11'—B10' | 105.6 (5) |
B5—B10—B11 | 105.9 (5) | B6'—B11'—B10' | 58.6 (4) |
B12—B10—H10 | 124.1 | B2'—B11'—B10' | 107.8 (5) |
B6—B10—H10 | 123.3 | B12'—B11'—H11' | 121.3 |
B9—B10—H10 | 123.2 | C7'—B11'—H11' | 123.1 |
B5—B10—H10 | 122.0 | B6'—B11'—H11' | 124.2 |
B11—B10—H10 | 124.8 | B2'—B11'—H11' | 120.5 |
B12—B11—C7 | 62.9 (8) | B10'—B11'—H11' | 123.5 |
B12—B11—B6 | 105.3 (8) | B11'—B12'—B10' | 72.9 (4) |
C7—B11—B6 | 103.4 (6) | B11'—B12'—C7' | 65.1 (3) |
B12—B11—B2 | 110.0 (9) | B10'—B12'—C7' | 118.6 (4) |
C7—B11—B2 | 58.0 (4) | B11'—B12'—C8' | 111.2 (4) |
B6—B11—B2 | 59.4 (5) | B10'—B12'—C8' | 107.6 (3) |
B12—B11—B10 | 57.1 (7) | C7'—B12'—C8' | 55.3 (3) |
C7—B11—B10 | 105.7 (5) | B11'—B12'—B9' | 120.3 (4) |
B6—B11—B10 | 59.4 (4) | B10'—B12'—B9' | 62.8 (3) |
B2—B11—B10 | 107.9 (5) | C7'—B12'—B9' | 103.3 (3) |
B12—B11—H11 | 121.1 | C8'—B12'—B9' | 54.1 (3) |
C7—B11—H11 | 123.4 | B11'—B12'—H12' | 110.4 |
B6—B11—H11 | 124.4 | B10'—B12'—H12' | 113.5 |
B2—B11—H11 | 121.0 | C7'—B12'—H12' | 121.8 |
B10—B11—H11 | 123.2 | C8'—B12'—H12' | 127.9 |
B11—B12—B10 | 66.8 (8) | B9'—B12'—H12' | 122.6 |
B11—B12—C7 | 59.1 (6) | C72'—C71'—C7' | 174.5 (3) |
B10—B12—C7 | 110.1 (10) | C71'—C72'—C73' | 177.1 |
B11—B12—B9 | 114.6 (11) | C74'—C73'—C78' | 117.9 (3) |
B10—B12—B9 | 63.6 (7) | C74'—C73'—C72' | 121.0 |
C7—B12—B9 | 102.8 (11) | C78'—C73'—C72' | 121.2 (3) |
B11—B12—C8 | 105.2 (10) | C73'—C74'—C75' | 121.1 (3) |
B10—B12—C8 | 107.6 (10) | C73'—C74'—H74B | 119.4 |
C7—B12—C8 | 54.8 (7) | C75'—C74'—H74B | 119.4 |
B9—B12—C8 | 56.5 (7) | C76'—C75'—C74' | 119.7 (6) |
B11—B12—H12 | 118.0 | C76'—C75'—H75A | 120.1 |
B10—B12—H12 | 117.0 | C74'—C75'—H75A | 120.1 |
C7—B12—H12 | 125.6 | C77'—C76'—C75' | 120.4 (7) |
B9—B12—H12 | 121.2 | C77'—C76'—H76A | 119.8 |
C8—B12—H12 | 126.6 | C75'—C76'—H76A | 119.8 |
C72—C71—C7 | 175.3 (7) | C76'—C77'—C78' | 120.7 (7) |
C71—C72—C73 | 177.8 (7) | C76'—C77'—H77A | 119.7 |
C74—C73—C78 | 119.3 (6) | C78'—C77'—H77A | 119.7 |
C74—C73—C72 | 120.0 (6) | C77'—C78'—C73' | 120.2 (6) |
C78—C73—C72 | 120.7 (6) | C77'—C78'—H78A | 119.9 |
C73—C74—C75 | 119.1 (7) | C73'—C78'—H78A | 119.9 |
C73—C74—H74A | 120.4 | C82'—C81'—C86' | 118.7 (6) |
C75—C74—H74A | 120.4 | C82'—C81'—C8' | 122.2 (6) |
C76—C75—C74 | 120.9 (8) | C86'—C81'—C8' | 119.0 (5) |
C76—C75—H75B | 119.6 | C81'—C82'—C83' | 121.7 (7) |
C74—C75—H75B | 119.6 | C81'—C82'—H82B | 119.2 |
C77—C76—C75 | 119.6 (8) | C83'—C82'—H82B | 119.2 |
C77—C76—H76B | 120.2 | C84'—C83'—C82' | 118.5 (7) |
C75—C76—H76B | 120.2 | C84'—C83'—H83A | 120.8 |
C76—C77—C78 | 121.6 (9) | C82'—C83'—H83A | 120.8 |
C76—C77—H77B | 119.2 | C85'—C84'—C83' | 120.5 (7) |
C78—C77—H77B | 119.2 | C85'—C84'—H84A | 119.8 |
C73—C78—C77 | 119.5 (7) | C83'—C84'—H84A | 119.8 |
C73—C78—H78B | 120.3 | C84'—C85'—C86' | 121.1 (7) |
C77—C78—H78B | 120.3 | C84'—C85'—H85B | 119.5 |
C82—C81—C86 | 119.2 (6) | C86'—C85'—H85B | 119.5 |
C82—C81—C8 | 119.0 (6) | C81'—C86'—C85' | 119.5 (6) |
C86—C81—C8 | 121.8 (6) | C81'—C86'—H86A | 120.2 |
C81—C82—C83 | 120.1 (7) | C85'—C86'—H86A | 120.2 |
C81—C82—H82A | 119.9 | C121—P1—C111 | 111.94 (9) |
C83—C82—H82A | 119.9 | C121—P1—C141 | 105.80 (10) |
C84—C83—C82 | 120.4 (7) | C111—P1—C141 | 108.53 (10) |
C84—C83—H83B | 119.8 | C121—P1—C131 | 110.14 (10) |
C82—C83—H83B | 119.8 | C111—P1—C131 | 108.82 (10) |
C85—C84—C83 | 119.4 (7) | C141—P1—C131 | 111.59 (9) |
C85—C84—H84B | 120.3 | C231—P2—C211 | 107.86 (10) |
C83—C84—H84B | 120.3 | C231—P2—C221 | 109.85 (10) |
C84—C85—C86 | 121.7 (7) | C211—P2—C221 | 111.51 (10) |
C84—C85—H85A | 119.1 | C231—P2—C241 | 110.74 (10) |
C86—C85—H85A | 119.1 | C211—P2—C241 | 108.39 (10) |
C81—C86—C85 | 119.2 (6) | C221—P2—C241 | 108.49 (10) |
C81—C86—H86B | 120.4 | C112—C111—P1 | 121.15 (6) |
C85—C86—H86B | 120.4 | C116—C111—P1 | 118.51 (6) |
B3'—B1'—B4' | 60.1 (5) | C122—C121—P1 | 118.97 (6) |
B3'—B1'—B2' | 58.1 (5) | C126—C121—P1 | 121.02 (6) |
B4'—B1'—B2' | 106.9 (5) | C132—C131—P1 | 118.81 (6) |
B3'—B1'—B5' | 107.5 (6) | C136—C131—P1 | 120.84 (6) |
B4'—B1'—B5' | 60.0 (4) | C142—C141—P1 | 121.18 (6) |
B2'—B1'—B5' | 108.1 (6) | C146—C141—P1 | 118.82 (6) |
B3'—B1'—B6' | 105.9 (6) | C212—C211—P2 | 119.13 (6) |
B4'—B1'—B6' | 107.9 (5) | C216—C211—P2 | 120.85 (6) |
B2'—B1'—B6' | 59.7 (4) | C222—C221—P2 | 120.35 (6) |
B5'—B1'—B6' | 60.7 (4) | C226—C221—P2 | 119.61 (6) |
B3'—B1'—H1' | 123.1 | C232—C231—P2 | 120.01 (6) |
B4'—B1'—H1' | 121.8 | C236—C231—P2 | 119.40 (6) |
B2'—B1'—H1' | 122.6 | C242—C241—P2 | 121.12 (6) |
B5'—B1'—H1' | 121.2 | C246—C241—P2 | 118.86 (6) |
C7—C8—C81—C82 | 74.7 (7) | C7'—C8'—C81'—C82' | −106.5 (6) |
C7—C8—C81—C86 | −106.0 (6) | C7'—C8'—C81'—C86' | 76.2 (7) |