Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801007620/ya6024sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536801007620/ya6024Isup2.hkl |
CCDC reference: 170279
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.010 Å
- R factor = 0.037
- wR factor = 0.076
- Data-to-parameter ratio = 17.3
checkCIF results
No syntax errors found ADDSYM reports no extra symmetry
Alert Level C:
PLAT_360 Alert C Short C(sp3)-C(sp3) Bond C(23) - C(24) = 1.42 Ang. General Notes
ABSTM_02 When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.334 Tmax scaled 0.333 Tmin scaled 0.129
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
1 Alert Level C = Please check
Data collection: MACH3/PC (Nonius, 1989); cell refinement: MACH3/PC (Nonius, 1989); data reduction: NRCVAX (Gabe et al., 1989); program(s) used to solve structure: SHELXTL (Bruker, 1998); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
(C24H20P)[Re2Br2(C12H22P)(CO)7] | F(000) = 2424 |
Mr = 1264.93 | Dx = 1.883 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 18.795 (2) Å | Cell parameters from 24 reflections |
b = 13.320 (1) Å | θ = 11.8–14.5° |
c = 19.579 (2) Å | µ = 7.33 mm−1 |
β = 114.42 (1)° | T = 293 K |
V = 4463.1 (7) Å3 | Prism, yellow |
Z = 4 | 0.30 × 0.25 × 0.15 mm |
Nonius MACH3 diffractometer | 5813 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.052 |
Graphite monochromator | θmax = 26.0°, θmin = 3.1° |
ω–2θ scans | h = −23→21 |
Absorption correction: ψ scan (North et al., 1968) | k = −16→15 |
Tmin = 0.385, Tmax = 0.997 | l = 0→24 |
17450 measured reflections | 3 standard reflections every 60 min |
8736 independent reflections | intensity decay: <1% |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.037 | H-atom parameters constrained |
wR(F2) = 0.076 | w = 1/[σ2(Fo2) + (0.0432P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.96 | (Δ/σ)max = 0.002 |
8736 reflections | Δρmax = 0.93 e Å−3 |
506 parameters | Δρmin = −0.67 e Å−3 |
296 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.00045 (4) |
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 on F2 for ALL reflections except for 0 with very negative F2 or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating _R_factor_obs 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 | ||
Re1 | 0.716316 (14) | 0.21854 (2) | 0.022200 (13) | 0.03739 (8) | |
Re2 | 0.783912 (15) | 0.40694 (2) | −0.093681 (14) | 0.04375 (9) | |
Br1 | 0.58067 (4) | 0.30408 (6) | −0.05134 (4) | 0.0582 (2) | |
Br2 | 0.77816 (4) | 0.40294 (5) | 0.03917 (4) | 0.0543 (2) | |
P1 | 0.73720 (9) | 0.22751 (11) | −0.09685 (8) | 0.0351 (3) | |
P2 | 0.67180 (9) | −0.24045 (11) | 0.08637 (8) | 0.0356 (3) | |
C1 | 0.8197 (5) | 0.1592 (5) | 0.0770 (4) | 0.056 (2) | |
O1 | 0.8748 (3) | 0.1261 (5) | 0.1052 (3) | 0.075 (2) | |
C2 | 0.7021 (4) | 0.2312 (5) | 0.1150 (4) | 0.048 (2) | |
O2 | 0.6929 (3) | 0.2371 (4) | 0.1673 (3) | 0.0703 (14) | |
C3 | 0.6723 (4) | 0.0900 (5) | 0.0062 (3) | 0.050 (2) | |
O3 | 0.6475 (3) | 0.0093 (4) | −0.0028 (3) | 0.076 (2) | |
C4 | 0.7912 (4) | 0.4036 (5) | −0.1877 (4) | 0.057 (2) | |
O4 | 0.7993 (4) | 0.4002 (4) | −0.2424 (3) | 0.088 (2) | |
C5 | 0.8927 (5) | 0.3613 (6) | −0.0449 (4) | 0.064 (2) | |
O5 | 0.9578 (3) | 0.3369 (5) | −0.0182 (4) | 0.101 (2) | |
C6 | 0.8145 (5) | 0.5476 (6) | −0.0800 (4) | 0.069 (2) | |
O6 | 0.8339 (4) | 0.6305 (4) | −0.0711 (4) | 0.103 (2) | |
C7 | 0.6729 (5) | 0.4553 (6) | −0.1417 (4) | 0.067 (2) | |
O7 | 0.6121 (4) | 0.4852 (5) | −0.1717 (4) | 0.106 (2) | |
C11 | 0.8163 (3) | 0.1375 (4) | −0.0911 (3) | 0.0402 (13) | |
H11 | 0.8617 | 0.1573 | −0.0457 | 0.048* | |
C12 | 0.8439 (3) | 0.1452 (5) | −0.1539 (3) | 0.052 (2) | |
H12A | 0.8549 | 0.2148 | −0.1606 | 0.062* | |
H12B | 0.8030 | 0.1217 | −0.2005 | 0.062* | |
C13 | 0.9177 (4) | 0.0821 (5) | −0.1351 (4) | 0.063 (2) | |
H13A | 0.9326 | 0.0845 | −0.1770 | 0.076* | |
H13B | 0.9601 | 0.1109 | −0.0918 | 0.076* | |
C14 | 0.9062 (4) | −0.0247 (5) | −0.1189 (4) | 0.076 (2) | |
H14A | 0.9556 | −0.0601 | −0.1030 | 0.091* | |
H14B | 0.8695 | −0.0563 | −0.1645 | 0.091* | |
C15 | 0.8757 (4) | −0.0342 (5) | −0.0585 (5) | 0.074 (2) | |
H15A | 0.9155 | −0.0118 | −0.0109 | 0.089* | |
H15B | 0.8643 | −0.1041 | −0.0532 | 0.089* | |
C16 | 0.8021 (4) | 0.0282 (5) | −0.0781 (4) | 0.058 (2) | |
H16A | 0.7607 | 0.0013 | −0.1230 | 0.069* | |
H16B | 0.7852 | 0.0240 | −0.0376 | 0.069* | |
C21 | 0.6488 (3) | 0.1977 (5) | −0.1842 (3) | 0.050 (2) | |
H21 | 0.6117 | 0.2454 | −0.1790 | 0.059* | |
C22 | 0.6087 (4) | 0.1012 (5) | −0.1830 (3) | 0.061 (2) | |
H22A | 0.6438 | 0.0461 | −0.1793 | 0.073* | |
H22B | 0.5984 | 0.0999 | −0.1384 | 0.073* | |
C23 | 0.5339 (5) | 0.0844 (8) | −0.2497 (4) | 0.123 (5) | |
H23A | 0.5251 | 0.0125 | −0.2550 | 0.147* | |
H23B | 0.4924 | 0.1128 | −0.2384 | 0.147* | |
C24 | 0.5245 (6) | 0.1222 (8) | −0.3207 (5) | 0.140 (5) | |
H24A | 0.4691 | 0.1288 | −0.3520 | 0.168* | |
H24B | 0.5454 | 0.0732 | −0.3443 | 0.168* | |
C25 | 0.5629 (5) | 0.2211 (6) | −0.3193 (4) | 0.091 (3) | |
H25A | 0.5308 | 0.2743 | −0.3131 | 0.109* | |
H25B | 0.5659 | 0.2313 | −0.3671 | 0.109* | |
C26 | 0.6449 (6) | 0.2281 (8) | −0.2564 (4) | 0.131 (5) | |
H26A | 0.6799 | 0.1861 | −0.2691 | 0.158* | |
H26B | 0.6631 | 0.2968 | −0.2530 | 0.158* | |
C31 | 0.6499 (3) | −0.1317 (4) | 0.1277 (3) | 0.0377 (13) | |
C32 | 0.7039 (3) | −0.0968 (4) | 0.1961 (3) | 0.051 (2) | |
H32 | 0.7525 | −0.1275 | 0.2191 | 0.061* | |
C33 | 0.6853 (4) | −0.0156 (5) | 0.2305 (4) | 0.064 (2) | |
H33 | 0.7217 | 0.0088 | 0.2760 | 0.077* | |
C34 | 0.6140 (4) | 0.0275 (5) | 0.1974 (4) | 0.055 (2) | |
H34 | 0.6018 | 0.0816 | 0.2206 | 0.066* | |
C35 | 0.5590 (4) | −0.0075 (4) | 0.1297 (4) | 0.053 (2) | |
H35 | 0.5103 | 0.0232 | 0.1077 | 0.064* | |
C36 | 0.5762 (3) | −0.0879 (4) | 0.0946 (3) | 0.0436 (14) | |
H36 | 0.5391 | −0.1124 | 0.0495 | 0.052* | |
C41 | 0.6262 (3) | −0.2379 (4) | −0.0139 (3) | 0.0384 (13) | |
C42 | 0.5467 (3) | −0.2517 (4) | −0.0519 (3) | 0.0450 (14) | |
H42 | 0.5166 | −0.2649 | −0.0254 | 0.054* | |
C43 | 0.5120 (4) | −0.2460 (5) | −0.1281 (3) | 0.057 (2) | |
H43 | 0.4583 | −0.2551 | −0.1535 | 0.068* | |
C44 | 0.5565 (5) | −0.2266 (6) | −0.1677 (4) | 0.073 (2) | |
H44 | 0.5326 | −0.2222 | −0.2198 | 0.088* | |
C45 | 0.6349 (5) | −0.2137 (7) | −0.1313 (4) | 0.084 (3) | |
H45 | 0.6645 | −0.2019 | −0.1586 | 0.101* | |
C46 | 0.6712 (4) | −0.2182 (5) | −0.0536 (4) | 0.061 (2) | |
H46 | 0.7248 | −0.2082 | −0.0284 | 0.073* | |
C51 | 0.7747 (3) | −0.2458 (4) | 0.1121 (3) | 0.0415 (14) | |
C52 | 0.8166 (3) | −0.1580 (4) | 0.1154 (4) | 0.052 (2) | |
H52 | 0.7932 | −0.0954 | 0.1115 | 0.063* | |
C53 | 0.8931 (4) | −0.1653 (5) | 0.1246 (4) | 0.062 (2) | |
H53 | 0.9219 | −0.1073 | 0.1280 | 0.075* | |
C54 | 0.9277 (4) | −0.2580 (6) | 0.1288 (4) | 0.063 (2) | |
H54 | 0.9789 | −0.2622 | 0.1336 | 0.076* | |
C55 | 0.8867 (4) | −0.3424 (6) | 0.1259 (4) | 0.064 (2) | |
H55 | 0.9105 | −0.4045 | 0.1293 | 0.077* | |
C56 | 0.8106 (4) | −0.3388 (4) | 0.1179 (3) | 0.049 (2) | |
H56 | 0.7834 | −0.3977 | 0.1165 | 0.059* | |
C61 | 0.6377 (3) | −0.3483 (4) | 0.1196 (3) | 0.0354 (12) | |
C62 | 0.6215 (3) | −0.4369 (4) | 0.0789 (3) | 0.0475 (15) | |
H62 | 0.6286 | −0.4414 | 0.0347 | 0.057* | |
C63 | 0.5942 (4) | −0.5193 (4) | 0.1052 (4) | 0.055 (2) | |
H63 | 0.5829 | −0.5796 | 0.0788 | 0.066* | |
C64 | 0.5845 (4) | −0.5102 (5) | 0.1698 (4) | 0.066 (2) | |
H64 | 0.5655 | −0.5648 | 0.1869 | 0.080* | |
C65 | 0.6015 (4) | −0.4239 (5) | 0.2104 (4) | 0.061 (2) | |
H65 | 0.5953 | −0.4202 | 0.2551 | 0.073* | |
C66 | 0.6280 (3) | −0.3414 (4) | 0.1848 (3) | 0.0448 (14) | |
H66 | 0.6391 | −0.2817 | 0.2118 | 0.054* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Re1 | 0.04107 (14) | 0.04230 (13) | 0.03248 (13) | −0.00191 (11) | 0.01890 (10) | 0.00048 (10) |
Re2 | 0.0499 (2) | 0.04264 (14) | 0.0447 (2) | −0.00889 (11) | 0.02546 (12) | −0.00177 (11) |
Br1 | 0.0496 (4) | 0.0766 (5) | 0.0551 (4) | 0.0101 (3) | 0.0282 (3) | 0.0020 (3) |
Br2 | 0.0714 (5) | 0.0511 (4) | 0.0504 (4) | −0.0172 (3) | 0.0353 (4) | −0.0154 (3) |
P1 | 0.0343 (8) | 0.0397 (8) | 0.0332 (8) | −0.0019 (6) | 0.0159 (6) | −0.0008 (6) |
P2 | 0.0378 (8) | 0.0333 (7) | 0.0374 (8) | −0.0018 (6) | 0.0171 (7) | 0.0007 (6) |
C1 | 0.073 (5) | 0.064 (5) | 0.039 (4) | 0.002 (4) | 0.032 (4) | 0.001 (3) |
O1 | 0.053 (3) | 0.127 (5) | 0.039 (3) | 0.016 (3) | 0.012 (3) | 0.009 (3) |
C2 | 0.063 (4) | 0.051 (4) | 0.042 (4) | −0.006 (3) | 0.033 (3) | 0.000 (3) |
O2 | 0.082 (4) | 0.078 (4) | 0.059 (3) | −0.005 (3) | 0.037 (3) | −0.004 (3) |
C3 | 0.067 (4) | 0.054 (4) | 0.039 (3) | 0.002 (3) | 0.032 (3) | 0.002 (3) |
O3 | 0.104 (4) | 0.060 (3) | 0.069 (3) | −0.032 (3) | 0.041 (3) | −0.002 (3) |
C4 | 0.065 (5) | 0.056 (4) | 0.056 (4) | −0.001 (3) | 0.031 (4) | 0.008 (3) |
O4 | 0.133 (5) | 0.093 (4) | 0.060 (3) | −0.007 (4) | 0.061 (4) | 0.007 (3) |
C5 | 0.059 (5) | 0.080 (5) | 0.052 (4) | −0.028 (4) | 0.023 (4) | −0.016 (4) |
O5 | 0.046 (3) | 0.141 (6) | 0.106 (5) | −0.009 (4) | 0.020 (3) | −0.019 (4) |
C6 | 0.106 (6) | 0.053 (4) | 0.069 (5) | −0.018 (4) | 0.058 (5) | −0.009 (4) |
O6 | 0.164 (6) | 0.053 (3) | 0.121 (5) | −0.040 (4) | 0.087 (5) | −0.022 (3) |
C7 | 0.068 (5) | 0.060 (5) | 0.079 (5) | 0.002 (4) | 0.037 (5) | 0.019 (4) |
O7 | 0.083 (4) | 0.114 (5) | 0.127 (6) | 0.036 (4) | 0.048 (4) | 0.050 (4) |
C11 | 0.040 (3) | 0.045 (3) | 0.038 (3) | 0.002 (3) | 0.018 (3) | −0.003 (3) |
C12 | 0.042 (4) | 0.066 (4) | 0.056 (4) | 0.001 (3) | 0.030 (3) | −0.008 (3) |
C13 | 0.047 (4) | 0.080 (5) | 0.072 (5) | 0.002 (4) | 0.035 (4) | −0.016 (4) |
C14 | 0.047 (4) | 0.076 (5) | 0.096 (6) | 0.014 (4) | 0.022 (4) | −0.028 (5) |
C15 | 0.078 (5) | 0.051 (4) | 0.092 (6) | 0.014 (4) | 0.033 (5) | −0.005 (4) |
C16 | 0.049 (4) | 0.052 (4) | 0.068 (5) | 0.002 (3) | 0.020 (3) | −0.008 (3) |
C21 | 0.043 (4) | 0.065 (4) | 0.032 (3) | −0.013 (3) | 0.007 (3) | 0.002 (3) |
C22 | 0.064 (5) | 0.066 (4) | 0.044 (4) | −0.023 (4) | 0.015 (3) | −0.002 (3) |
C23 | 0.114 (8) | 0.193 (11) | 0.052 (5) | −0.113 (8) | 0.024 (5) | −0.014 (6) |
C24 | 0.124 (9) | 0.118 (8) | 0.092 (8) | −0.062 (7) | −0.041 (7) | 0.024 (6) |
C25 | 0.080 (6) | 0.095 (6) | 0.058 (5) | −0.017 (5) | −0.011 (4) | 0.021 (5) |
C26 | 0.156 (10) | 0.135 (9) | 0.055 (5) | −0.085 (8) | −0.005 (6) | 0.028 (5) |
C31 | 0.045 (3) | 0.031 (3) | 0.039 (3) | −0.004 (3) | 0.019 (3) | 0.001 (2) |
C32 | 0.043 (4) | 0.050 (4) | 0.052 (4) | 0.001 (3) | 0.013 (3) | −0.006 (3) |
C33 | 0.070 (5) | 0.059 (4) | 0.057 (4) | −0.009 (4) | 0.020 (4) | −0.022 (4) |
C34 | 0.058 (4) | 0.040 (3) | 0.070 (5) | −0.006 (3) | 0.031 (4) | −0.015 (3) |
C35 | 0.051 (4) | 0.040 (3) | 0.072 (5) | 0.006 (3) | 0.029 (4) | 0.000 (3) |
C36 | 0.047 (4) | 0.039 (3) | 0.049 (4) | 0.000 (3) | 0.023 (3) | −0.003 (3) |
C41 | 0.049 (4) | 0.034 (3) | 0.036 (3) | −0.004 (3) | 0.021 (3) | 0.000 (2) |
C42 | 0.048 (4) | 0.041 (3) | 0.052 (4) | −0.005 (3) | 0.026 (3) | −0.005 (3) |
C43 | 0.059 (4) | 0.048 (4) | 0.049 (4) | −0.002 (3) | 0.007 (4) | −0.001 (3) |
C44 | 0.085 (6) | 0.079 (5) | 0.040 (4) | −0.003 (5) | 0.012 (4) | 0.004 (4) |
C45 | 0.106 (7) | 0.108 (7) | 0.055 (5) | −0.003 (6) | 0.050 (5) | 0.013 (5) |
C46 | 0.060 (4) | 0.074 (5) | 0.048 (4) | −0.011 (4) | 0.022 (3) | 0.001 (3) |
C51 | 0.042 (3) | 0.038 (3) | 0.044 (3) | 0.000 (3) | 0.017 (3) | 0.000 (3) |
C52 | 0.046 (4) | 0.045 (4) | 0.061 (4) | −0.001 (3) | 0.017 (3) | 0.004 (3) |
C53 | 0.046 (4) | 0.070 (5) | 0.069 (5) | −0.016 (4) | 0.022 (4) | 0.003 (4) |
C54 | 0.036 (4) | 0.095 (6) | 0.057 (4) | 0.001 (4) | 0.016 (3) | 0.014 (4) |
C55 | 0.058 (5) | 0.076 (5) | 0.064 (5) | 0.008 (4) | 0.033 (4) | 0.000 (4) |
C56 | 0.052 (4) | 0.045 (4) | 0.051 (4) | 0.000 (3) | 0.023 (3) | 0.007 (3) |
C61 | 0.034 (3) | 0.034 (3) | 0.035 (3) | −0.002 (2) | 0.012 (3) | 0.002 (2) |
C62 | 0.049 (4) | 0.047 (4) | 0.049 (4) | −0.001 (3) | 0.022 (3) | −0.005 (3) |
C63 | 0.071 (5) | 0.040 (3) | 0.060 (4) | −0.014 (3) | 0.032 (4) | −0.004 (3) |
C64 | 0.088 (6) | 0.049 (4) | 0.070 (5) | −0.015 (4) | 0.040 (4) | 0.005 (4) |
C65 | 0.079 (5) | 0.061 (4) | 0.054 (4) | −0.012 (4) | 0.038 (4) | 0.009 (3) |
C66 | 0.053 (4) | 0.044 (3) | 0.038 (3) | −0.008 (3) | 0.020 (3) | −0.005 (3) |
Re1—C3 | 1.871 (7) | C21—C26 | 1.443 (9) |
Re1—C2 | 1.951 (6) | C21—C22 | 1.496 (7) |
Re1—C1 | 1.956 (8) | C22—C23 | 1.488 (8) |
Re1—P1 | 2.5214 (15) | C23—C24 | 1.420 (10) |
Re1—Br1 | 2.6146 (8) | C24—C25 | 1.496 (9) |
Re1—Br2 | 2.6786 (7) | C25—C26 | 1.527 (9) |
Re2—C4 | 1.903 (7) | C31—C32 | 1.386 (7) |
Re2—C6 | 1.946 (7) | C31—C36 | 1.391 (7) |
Re2—C5 | 1.962 (8) | C32—C33 | 1.392 (8) |
Re2—C7 | 2.008 (8) | C33—C34 | 1.351 (8) |
Re2—P1 | 2.5381 (14) | C34—C35 | 1.382 (8) |
Re2—Br2 | 2.6482 (7) | C35—C36 | 1.381 (7) |
P1—C21 | 1.869 (5) | C41—C42 | 1.380 (7) |
P1—C11 | 1.877 (6) | C41—C46 | 1.388 (8) |
P2—C51 | 1.788 (6) | C42—C43 | 1.361 (8) |
P2—C31 | 1.788 (5) | C43—C44 | 1.380 (9) |
P2—C41 | 1.788 (5) | C44—C45 | 1.356 (9) |
P2—C61 | 1.800 (5) | C45—C46 | 1.388 (9) |
C1—O1 | 1.048 (8) | C51—C56 | 1.393 (7) |
C2—O2 | 1.109 (7) | C51—C52 | 1.397 (8) |
C3—O3 | 1.156 (7) | C52—C53 | 1.377 (8) |
C4—O4 | 1.142 (8) | C53—C54 | 1.381 (9) |
C5—O5 | 1.160 (9) | C54—C55 | 1.351 (9) |
C6—O6 | 1.153 (8) | C55—C56 | 1.373 (8) |
C7—O7 | 1.120 (8) | C61—C66 | 1.365 (7) |
C11—C16 | 1.520 (8) | C61—C62 | 1.385 (7) |
C11—C12 | 1.524 (7) | C62—C63 | 1.397 (8) |
C12—C13 | 1.531 (8) | C63—C64 | 1.356 (8) |
C13—C14 | 1.493 (9) | C64—C65 | 1.359 (8) |
C14—C15 | 1.519 (9) | C65—C66 | 1.383 (7) |
C15—C16 | 1.521 (8) | ||
C3—Re1—C2 | 90.8 (3) | O7—C7—Re2 | 175.6 (7) |
C3—Re1—C1 | 89.6 (3) | C16—C11—C12 | 110.0 (5) |
C2—Re1—C1 | 90.7 (3) | C16—C11—P1 | 115.6 (4) |
C3—Re1—P1 | 96.6 (2) | C12—C11—P1 | 115.7 (4) |
C2—Re1—P1 | 172.3 (2) | C11—C12—C13 | 110.2 (5) |
C1—Re1—P1 | 91.6 (2) | C14—C13—C12 | 112.2 (5) |
C3—Re1—Br1 | 92.5 (2) | C13—C14—C15 | 112.3 (6) |
C2—Re1—Br1 | 89.8 (2) | C14—C15—C16 | 110.8 (6) |
C1—Re1—Br1 | 177.9 (2) | C11—C16—C15 | 111.2 (5) |
P1—Re1—Br1 | 87.67 (4) | C26—C21—C22 | 115.7 (6) |
C3—Re1—Br2 | 177.7 (2) | C26—C21—P1 | 120.2 (5) |
C2—Re1—Br2 | 91.4 (2) | C22—C21—P1 | 115.6 (4) |
C1—Re1—Br2 | 91.2 (2) | C23—C22—C21 | 114.6 (6) |
P1—Re1—Br2 | 81.13 (4) | C24—C23—C22 | 119.7 (6) |
Br1—Re1—Br2 | 86.73 (2) | C23—C24—C25 | 115.5 (7) |
C4—Re2—C6 | 91.2 (3) | C24—C25—C26 | 112.8 (6) |
C4—Re2—C5 | 89.2 (3) | C21—C26—C25 | 113.5 (7) |
C6—Re2—C5 | 92.4 (3) | C32—C31—C36 | 120.0 (5) |
C4—Re2—C7 | 91.8 (3) | C32—C31—P2 | 119.7 (4) |
C6—Re2—C7 | 86.9 (3) | C36—C31—P2 | 120.1 (4) |
C5—Re2—C7 | 178.8 (3) | C31—C32—C33 | 119.9 (6) |
C4—Re2—P1 | 96.7 (2) | C34—C33—C32 | 119.7 (6) |
C6—Re2—P1 | 171.8 (2) | C33—C34—C35 | 121.1 (6) |
C5—Re2—P1 | 90.1 (2) | C36—C35—C34 | 120.2 (6) |
C7—Re2—P1 | 90.5 (2) | C35—C36—C31 | 119.1 (5) |
C4—Re2—Br2 | 177.0 (2) | C42—C41—C46 | 119.8 (5) |
C6—Re2—Br2 | 90.8 (2) | C42—C41—P2 | 120.7 (4) |
C5—Re2—Br2 | 88.5 (2) | C46—C41—P2 | 119.5 (5) |
C7—Re2—Br2 | 90.6 (2) | C43—C42—C41 | 120.4 (6) |
P1—Re2—Br2 | 81.42 (4) | C42—C43—C44 | 120.0 (6) |
Re2—Br2—Re1 | 95.07 (2) | C45—C44—C43 | 120.5 (6) |
C21—P1—C11 | 107.6 (3) | C44—C45—C46 | 120.4 (7) |
C21—P1—Re1 | 114.6 (2) | C45—C46—C41 | 119.0 (6) |
C11—P1—Re1 | 109.7 (2) | C56—C51—C52 | 119.8 (5) |
C21—P1—Re2 | 112.9 (2) | C56—C51—P2 | 119.3 (4) |
C11—P1—Re2 | 110.0 (2) | C52—C51—P2 | 120.2 (4) |
Re1—P1—Re2 | 101.92 (5) | C53—C52—C51 | 119.0 (6) |
C51—P2—C31 | 109.3 (3) | C52—C53—C54 | 120.8 (6) |
C51—P2—C41 | 106.3 (3) | C55—C54—C53 | 119.7 (6) |
C31—P2—C41 | 112.7 (3) | C54—C55—C56 | 121.7 (6) |
C51—P2—C61 | 111.8 (2) | C55—C56—C51 | 119.1 (6) |
C31—P2—C61 | 107.5 (3) | C66—C61—C62 | 120.7 (5) |
C41—P2—C61 | 109.3 (2) | C66—C61—P2 | 119.3 (4) |
O1—C1—Re1 | 178.5 (7) | C62—C61—P2 | 120.0 (4) |
O2—C2—Re1 | 178.7 (6) | C61—C62—C63 | 119.1 (6) |
O3—C3—Re1 | 177.8 (6) | C64—C63—C62 | 119.0 (6) |
O4—C4—Re2 | 176.7 (7) | C63—C64—C65 | 122.1 (6) |
O5—C5—Re2 | 177.1 (7) | C64—C65—C66 | 119.6 (6) |
O6—C6—Re2 | 178.9 (7) | C61—C66—C65 | 119.6 (5) |