Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680201190X/ya6114sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680201190X/ya61143sup2.hkl |
CCDC reference: 193702
Data collection: EXPOSE in IPDS (Stoe & Cie, 2000); cell refinement: CELL in IPDS; data reduction: INTEGRATE in IPDS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
[RuBr2(CO)2(PPh3)2]·CH2Cl2 | F(000) = 1840 |
Mr = 926.38 | Dx = 1.622 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 10.2056 (6) Å | Cell parameters from 8000 reflections |
b = 40.436 (3) Å | θ = 2.0–25.9° |
c = 10.3584 (6) Å | µ = 2.78 mm−1 |
β = 117.423 (6)° | T = 153 K |
V = 3794.3 (4) Å3 | Block, yellow |
Z = 4 | 0.45 × 0.25 × 0.25 mm |
Stoe IPDS diffractometer | 6181 independent reflections |
Radiation source: fine-focus sealed tube | 4461 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.050 |
Detector resolution: 0.81 pixels mm-1 | θmax = 25.9°, θmin = 2.0° |
φ scans | h = −12→11 |
Absorption correction: multi-scan (Blessing, 1995) | k = −49→49 |
Tmin = 0.339, Tmax = 0.407 | l = −12→12 |
15317 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)] = 0.038 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.090 | H-atom parameters constrained |
S = 0.93 | w = 1/[σ2(Fo2) + (0.0511P)2] where P = (Fo2 + 2Fc2)/3 |
6181 reflections | (Δ/σ)max = 0.001 |
433 parameters | Δρmax = 1.12 e Å−3 |
0 restraints | Δρmin = −0.87 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 | ||
C1 | 0.6298 (6) | 0.11952 (12) | 1.0279 (5) | 0.0206 (11) | |
C2 | 0.6255 (6) | 0.14837 (11) | 0.7931 (4) | 0.0187 (11) | |
C3 | 0.3664 (5) | 0.05038 (11) | 0.6337 (4) | 0.0174 (10) | |
C4 | 0.2212 (6) | 0.05998 (13) | 0.5860 (5) | 0.0238 (11) | |
H4A | 0.2005 | 0.0803 | 0.6191 | 0.029* | |
C5 | 0.1056 (6) | 0.04036 (14) | 0.4904 (5) | 0.0297 (12) | |
H5A | 0.0065 | 0.0473 | 0.4582 | 0.036* | |
C6 | 0.1345 (6) | 0.01070 (14) | 0.4422 (5) | 0.0305 (13) | |
H6A | 0.0553 | −0.0025 | 0.3751 | 0.037* | |
C7 | 0.2780 (6) | 0.00030 (13) | 0.4914 (5) | 0.0268 (12) | |
H7A | 0.2977 | −0.0204 | 0.4601 | 0.032* | |
C8 | 0.3931 (6) | 0.01976 (12) | 0.5857 (5) | 0.0218 (11) | |
H8A | 0.4918 | 0.0124 | 0.6188 | 0.026* | |
C9 | 0.6347 (6) | 0.04536 (11) | 0.8965 (4) | 0.0193 (11) | |
C10 | 0.7313 (6) | 0.02316 (13) | 0.8830 (5) | 0.0294 (12) | |
H10A | 0.7515 | 0.0249 | 0.8024 | 0.035* | |
C11 | 0.7992 (7) | −0.00163 (14) | 0.9853 (6) | 0.0375 (14) | |
H11A | 0.8661 | −0.0164 | 0.9752 | 0.045* | |
C12 | 0.7689 (7) | −0.00468 (15) | 1.1018 (6) | 0.0404 (15) | |
H12A | 0.8133 | −0.0219 | 1.1707 | 0.049* | |
C13 | 0.6760 (7) | 0.01692 (15) | 1.1177 (5) | 0.0361 (14) | |
H13A | 0.6584 | 0.0151 | 1.1999 | 0.043* | |
C14 | 0.6056 (6) | 0.04182 (13) | 1.0154 (5) | 0.0278 (12) | |
H14A | 0.5381 | 0.0563 | 1.0265 | 0.033* | |
C15 | 0.6277 (6) | 0.08074 (11) | 0.6500 (5) | 0.0193 (11) | |
C16 | 0.5474 (6) | 0.08283 (12) | 0.4962 (5) | 0.0229 (11) | |
H16A | 0.4434 | 0.0797 | 0.4474 | 0.028* | |
C17 | 0.6262 (7) | 0.08961 (13) | 0.4183 (5) | 0.0309 (13) | |
H17A | 0.5746 | 0.0913 | 0.3153 | 0.037* | |
C18 | 0.7749 (7) | 0.09383 (13) | 0.4875 (6) | 0.0347 (15) | |
H18A | 0.8257 | 0.0982 | 0.4322 | 0.042* | |
C19 | 0.8533 (7) | 0.09186 (14) | 0.6370 (6) | 0.0332 (13) | |
H19A | 0.9575 | 0.0945 | 0.6846 | 0.040* | |
C20 | 0.7768 (6) | 0.08584 (13) | 0.7176 (5) | 0.0260 (12) | |
H20A | 0.8295 | 0.0853 | 0.8207 | 0.031* | |
C21 | 0.4980 (5) | 0.18277 (11) | 1.1024 (4) | 0.0168 (10) | |
C22 | 0.6485 (6) | 0.18601 (12) | 1.1934 (4) | 0.0217 (11) | |
H22A | 0.7135 | 0.1899 | 1.1526 | 0.026* | |
C23 | 0.7051 (6) | 0.18368 (13) | 1.3441 (5) | 0.0279 (12) | |
H23A | 0.8079 | 0.1862 | 1.4061 | 0.033* | |
C24 | 0.6080 (6) | 0.17756 (13) | 1.4023 (5) | 0.0259 (12) | |
H24A | 0.6453 | 0.1756 | 1.5046 | 0.031* | |
C25 | 0.4596 (6) | 0.17435 (12) | 1.3130 (5) | 0.0253 (12) | |
H25A | 0.3953 | 0.1701 | 1.3544 | 0.030* | |
C26 | 0.4014 (6) | 0.17713 (12) | 1.1630 (4) | 0.0192 (10) | |
H26A | 0.2981 | 0.1753 | 1.1022 | 0.023* | |
C27 | 0.5042 (5) | 0.21808 (11) | 0.8625 (4) | 0.0178 (10) | |
C28 | 0.4872 (6) | 0.22132 (13) | 0.7205 (5) | 0.0276 (13) | |
H28A | 0.4459 | 0.2037 | 0.6528 | 0.033* | |
C29 | 0.5306 (7) | 0.25019 (14) | 0.6796 (5) | 0.0358 (14) | |
H29A | 0.5183 | 0.2523 | 0.5833 | 0.043* | |
C30 | 0.5917 (7) | 0.27610 (15) | 0.7761 (6) | 0.0421 (16) | |
H30A | 0.6221 | 0.2956 | 0.7465 | 0.051* | |
C31 | 0.6082 (7) | 0.27346 (15) | 0.9152 (6) | 0.0379 (14) | |
H31A | 0.6484 | 0.2913 | 0.9814 | 0.046* | |
C32 | 0.5660 (6) | 0.24467 (13) | 0.9586 (5) | 0.0261 (12) | |
H32A | 0.5791 | 0.2429 | 1.0553 | 0.031* | |
C33 | 0.2338 (5) | 0.19357 (12) | 0.8350 (4) | 0.0164 (10) | |
C34 | 0.1996 (6) | 0.22518 (12) | 0.8635 (5) | 0.0214 (11) | |
H34A | 0.2770 | 0.2404 | 0.9159 | 0.026* | |
C35 | 0.0545 (6) | 0.23484 (13) | 0.8170 (5) | 0.0250 (12) | |
H35A | 0.0332 | 0.2566 | 0.8367 | 0.030* | |
C36 | −0.0587 (6) | 0.21294 (13) | 0.7423 (5) | 0.0233 (11) | |
H36A | −0.1582 | 0.2194 | 0.7113 | 0.028* | |
C37 | −0.0264 (6) | 0.18132 (13) | 0.7124 (5) | 0.0220 (11) | |
H37A | −0.1043 | 0.1661 | 0.6608 | 0.026* | |
C38 | 0.1176 (5) | 0.17185 (12) | 0.7570 (4) | 0.0190 (11) | |
H38A | 0.1382 | 0.1503 | 0.7345 | 0.023* | |
C39 | 1.1354 (8) | 0.11030 (17) | 1.1757 (6) | 0.0494 (18) | |
H39A | 1.2198 | 0.1074 | 1.1543 | 0.059* | |
H39B | 1.1749 | 0.1164 | 1.2796 | 0.059* | |
O1 | 0.7191 (4) | 0.11406 (9) | 1.1430 (3) | 0.0323 (9) | |
O2 | 0.7099 (4) | 0.16123 (9) | 0.7685 (4) | 0.0312 (9) | |
P1 | 0.52572 (14) | 0.07514 (3) | 0.75479 (11) | 0.0154 (3) | |
P2 | 0.42684 (13) | 0.18169 (3) | 0.90546 (11) | 0.0139 (3) | |
Br1 | 0.30457 (6) | 0.101341 (12) | 0.91778 (5) | 0.02463 (13) | |
Br2 | 0.29855 (6) | 0.141022 (12) | 0.56888 (4) | 0.02115 (12) | |
Ru1 | 0.48525 (4) | 0.128456 (9) | 0.83685 (3) | 0.01324 (10) | |
Cl1 | 1.0354 (3) | 0.07323 (5) | 1.1416 (2) | 0.0712 (6) | |
Cl2 | 1.0192 (2) | 0.14216 (5) | 1.0657 (2) | 0.0621 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.024 (3) | 0.019 (2) | 0.024 (2) | −0.002 (2) | 0.015 (2) | −0.0030 (19) |
C2 | 0.024 (3) | 0.017 (2) | 0.015 (2) | 0.000 (2) | 0.008 (2) | −0.0001 (17) |
C3 | 0.021 (3) | 0.017 (2) | 0.015 (2) | −0.007 (2) | 0.009 (2) | −0.0023 (17) |
C4 | 0.024 (3) | 0.023 (3) | 0.027 (2) | −0.002 (2) | 0.013 (2) | 0.001 (2) |
C5 | 0.016 (3) | 0.035 (3) | 0.034 (3) | −0.004 (3) | 0.008 (2) | −0.002 (2) |
C6 | 0.025 (4) | 0.035 (3) | 0.026 (2) | −0.010 (3) | 0.008 (2) | −0.005 (2) |
C7 | 0.035 (4) | 0.025 (3) | 0.024 (2) | −0.007 (3) | 0.017 (2) | −0.006 (2) |
C8 | 0.020 (3) | 0.025 (3) | 0.020 (2) | 0.000 (2) | 0.009 (2) | −0.0013 (19) |
C9 | 0.024 (3) | 0.014 (2) | 0.016 (2) | −0.002 (2) | 0.006 (2) | −0.0008 (17) |
C10 | 0.029 (4) | 0.028 (3) | 0.025 (2) | 0.004 (3) | 0.006 (2) | 0.002 (2) |
C11 | 0.030 (4) | 0.026 (3) | 0.045 (3) | 0.011 (3) | 0.008 (3) | 0.007 (2) |
C12 | 0.031 (4) | 0.031 (3) | 0.035 (3) | 0.001 (3) | −0.005 (3) | 0.015 (2) |
C13 | 0.032 (4) | 0.045 (4) | 0.023 (2) | −0.007 (3) | 0.007 (2) | 0.014 (2) |
C14 | 0.030 (4) | 0.028 (3) | 0.026 (2) | −0.004 (3) | 0.014 (2) | 0.005 (2) |
C15 | 0.021 (3) | 0.018 (2) | 0.022 (2) | 0.005 (2) | 0.013 (2) | −0.0003 (18) |
C16 | 0.029 (3) | 0.023 (3) | 0.023 (2) | 0.003 (2) | 0.017 (2) | 0.0045 (19) |
C17 | 0.044 (4) | 0.028 (3) | 0.029 (2) | 0.010 (3) | 0.024 (3) | 0.012 (2) |
C18 | 0.051 (5) | 0.029 (3) | 0.043 (3) | 0.000 (3) | 0.038 (3) | 0.002 (2) |
C19 | 0.025 (4) | 0.029 (3) | 0.053 (3) | −0.006 (3) | 0.024 (3) | −0.007 (3) |
C20 | 0.022 (3) | 0.028 (3) | 0.032 (3) | −0.001 (3) | 0.016 (2) | −0.005 (2) |
C21 | 0.023 (3) | 0.014 (2) | 0.0156 (19) | −0.001 (2) | 0.010 (2) | −0.0017 (17) |
C22 | 0.019 (3) | 0.027 (3) | 0.018 (2) | −0.003 (2) | 0.008 (2) | −0.0029 (19) |
C23 | 0.024 (3) | 0.034 (3) | 0.018 (2) | −0.001 (3) | 0.003 (2) | −0.004 (2) |
C24 | 0.031 (4) | 0.027 (3) | 0.016 (2) | −0.002 (3) | 0.008 (2) | 0.0019 (19) |
C25 | 0.034 (4) | 0.027 (3) | 0.022 (2) | 0.000 (3) | 0.019 (2) | 0.005 (2) |
C26 | 0.017 (3) | 0.022 (3) | 0.017 (2) | −0.004 (2) | 0.006 (2) | −0.0022 (18) |
C27 | 0.014 (3) | 0.020 (2) | 0.021 (2) | −0.002 (2) | 0.009 (2) | 0.0000 (18) |
C28 | 0.034 (4) | 0.032 (3) | 0.020 (2) | −0.002 (3) | 0.014 (2) | 0.001 (2) |
C29 | 0.046 (4) | 0.036 (3) | 0.031 (3) | −0.004 (3) | 0.023 (3) | 0.007 (2) |
C30 | 0.044 (4) | 0.032 (3) | 0.051 (3) | −0.010 (3) | 0.023 (3) | 0.013 (3) |
C31 | 0.039 (4) | 0.032 (3) | 0.039 (3) | −0.010 (3) | 0.015 (3) | −0.002 (2) |
C32 | 0.027 (3) | 0.028 (3) | 0.022 (2) | −0.007 (3) | 0.011 (2) | −0.001 (2) |
C33 | 0.018 (3) | 0.024 (2) | 0.0101 (18) | −0.001 (2) | 0.0081 (19) | 0.0033 (17) |
C34 | 0.013 (3) | 0.024 (3) | 0.026 (2) | 0.000 (2) | 0.007 (2) | 0.001 (2) |
C35 | 0.026 (3) | 0.023 (3) | 0.029 (2) | 0.007 (2) | 0.016 (2) | 0.004 (2) |
C36 | 0.013 (3) | 0.031 (3) | 0.026 (2) | 0.006 (2) | 0.008 (2) | 0.009 (2) |
C37 | 0.016 (3) | 0.031 (3) | 0.016 (2) | −0.002 (2) | 0.005 (2) | 0.0013 (19) |
C38 | 0.017 (3) | 0.025 (3) | 0.017 (2) | 0.000 (2) | 0.010 (2) | −0.0017 (19) |
C39 | 0.045 (5) | 0.064 (5) | 0.030 (3) | 0.001 (4) | 0.010 (3) | −0.006 (3) |
O1 | 0.032 (2) | 0.041 (2) | 0.0146 (16) | 0.009 (2) | 0.0022 (16) | 0.0021 (15) |
O2 | 0.030 (2) | 0.034 (2) | 0.0384 (19) | −0.005 (2) | 0.0227 (18) | 0.0015 (17) |
P1 | 0.0162 (7) | 0.0174 (6) | 0.0135 (5) | −0.0006 (5) | 0.0075 (5) | −0.0006 (4) |
P2 | 0.0130 (7) | 0.0181 (6) | 0.0109 (5) | −0.0032 (5) | 0.0057 (5) | −0.0017 (4) |
Br1 | 0.0268 (3) | 0.0258 (3) | 0.0290 (2) | −0.0024 (2) | 0.0194 (2) | 0.0009 (2) |
Br2 | 0.0241 (3) | 0.0240 (2) | 0.0133 (2) | 0.0014 (2) | 0.00687 (19) | −0.00018 (17) |
Ru1 | 0.0141 (2) | 0.01665 (18) | 0.01062 (15) | −0.00124 (17) | 0.00713 (14) | −0.00055 (13) |
Cl1 | 0.0972 (18) | 0.0474 (11) | 0.0716 (11) | 0.0030 (11) | 0.0410 (12) | 0.0070 (9) |
Cl2 | 0.0443 (12) | 0.0506 (11) | 0.0817 (12) | −0.0070 (10) | 0.0209 (9) | 0.0027 (9) |
C1—O1 | 1.140 (6) | C21—C26 | 1.410 (6) |
C1—Ru1 | 1.880 (5) | C21—P2 | 1.824 (4) |
C2—O2 | 1.131 (6) | C22—C23 | 1.396 (6) |
C2—Ru1 | 1.871 (5) | C23—C24 | 1.399 (7) |
C3—C4 | 1.384 (7) | C24—C25 | 1.369 (7) |
C3—C8 | 1.407 (6) | C25—C26 | 1.389 (6) |
C3—P1 | 1.828 (5) | C27—C32 | 1.402 (7) |
C4—C5 | 1.387 (7) | C27—C28 | 1.405 (6) |
C5—C6 | 1.382 (7) | C27—P2 | 1.820 (5) |
C6—C7 | 1.377 (8) | C28—C29 | 1.383 (7) |
C7—C8 | 1.377 (7) | C29—C30 | 1.383 (8) |
C9—C10 | 1.388 (7) | C30—C31 | 1.376 (7) |
C9—C14 | 1.401 (6) | C31—C32 | 1.385 (7) |
C9—P1 | 1.827 (5) | C33—C34 | 1.392 (6) |
C10—C11 | 1.390 (7) | C33—C38 | 1.395 (7) |
C11—C12 | 1.383 (8) | C33—P2 | 1.822 (5) |
C12—C13 | 1.354 (8) | C34—C35 | 1.385 (7) |
C13—C14 | 1.397 (7) | C35—C36 | 1.376 (7) |
C15—C20 | 1.366 (7) | C36—C37 | 1.390 (7) |
C15—C16 | 1.419 (6) | C37—C38 | 1.377 (7) |
C15—P1 | 1.832 (4) | C39—Cl1 | 1.756 (7) |
C16—C17 | 1.405 (7) | C39—Cl2 | 1.767 (7) |
C17—C18 | 1.358 (8) | P1—Ru1 | 2.4215 (12) |
C18—C19 | 1.379 (8) | P2—Ru1 | 2.4255 (12) |
C19—C20 | 1.402 (7) | Br1—Ru1 | 2.5940 (6) |
C21—C22 | 1.389 (7) | Br2—Ru1 | 2.5927 (6) |
O1—C1—Ru1 | 179.0 (5) | C31—C30—C29 | 119.7 (5) |
O2—C2—Ru1 | 178.0 (4) | C30—C31—C32 | 119.9 (5) |
C4—C3—C8 | 118.1 (4) | C31—C32—C27 | 121.3 (4) |
C4—C3—P1 | 124.0 (4) | C34—C33—C38 | 118.1 (5) |
C8—C3—P1 | 118.0 (4) | C34—C33—P2 | 119.2 (4) |
C3—C4—C5 | 120.9 (5) | C38—C33—P2 | 122.6 (4) |
C6—C5—C4 | 120.1 (5) | C35—C34—C33 | 121.2 (5) |
C7—C6—C5 | 119.9 (5) | C36—C35—C34 | 120.0 (5) |
C6—C7—C8 | 120.2 (5) | C35—C36—C37 | 119.6 (5) |
C7—C8—C3 | 120.9 (5) | C38—C37—C36 | 120.5 (5) |
C10—C9—C14 | 118.1 (4) | C37—C38—C33 | 120.7 (5) |
C10—C9—P1 | 122.9 (3) | Cl1—C39—Cl2 | 109.7 (4) |
C14—C9—P1 | 118.5 (4) | C9—P1—C3 | 102.1 (2) |
C9—C10—C11 | 121.2 (5) | C9—P1—C15 | 104.8 (2) |
C12—C11—C10 | 119.8 (5) | C3—P1—C15 | 103.3 (2) |
C13—C12—C11 | 120.0 (5) | C9—P1—Ru1 | 116.34 (14) |
C12—C13—C14 | 121.1 (5) | C3—P1—Ru1 | 119.14 (16) |
C13—C14—C9 | 119.8 (5) | C15—P1—Ru1 | 109.48 (15) |
C20—C15—C16 | 119.9 (4) | C27—P2—C33 | 101.5 (2) |
C20—C15—P1 | 121.2 (3) | C27—P2—C21 | 105.1 (2) |
C16—C15—P1 | 118.7 (4) | C33—P2—C21 | 104.02 (19) |
C17—C16—C15 | 118.0 (5) | C27—P2—Ru1 | 116.94 (14) |
C18—C17—C16 | 121.2 (5) | C33—P2—Ru1 | 118.88 (15) |
C17—C18—C19 | 121.0 (5) | C21—P2—Ru1 | 108.91 (15) |
C18—C19—C20 | 119.0 (6) | C2—Ru1—C1 | 91.2 (2) |
C15—C20—C19 | 121.0 (5) | C2—Ru1—P1 | 91.43 (14) |
C22—C21—C26 | 119.6 (4) | C1—Ru1—P1 | 91.15 (14) |
C22—C21—P2 | 120.5 (3) | C2—Ru1—P2 | 90.44 (14) |
C26—C21—P2 | 119.6 (4) | C1—Ru1—P2 | 92.41 (14) |
C21—C22—C23 | 120.7 (4) | P1—Ru1—P2 | 175.94 (4) |
C22—C23—C24 | 118.9 (5) | C2—Ru1—Br2 | 85.61 (14) |
C25—C24—C23 | 120.5 (4) | C1—Ru1—Br2 | 176.52 (14) |
C24—C25—C26 | 121.2 (4) | P1—Ru1—Br2 | 87.63 (3) |
C25—C26—C21 | 119.0 (5) | P2—Ru1—Br2 | 88.92 (3) |
C32—C27—C28 | 118.0 (4) | C2—Ru1—Br1 | 175.74 (13) |
C32—C27—P2 | 123.4 (3) | C1—Ru1—Br1 | 84.77 (14) |
C28—C27—P2 | 118.2 (3) | P1—Ru1—Br1 | 89.93 (3) |
C29—C28—C27 | 119.8 (5) | P2—Ru1—Br1 | 88.46 (3) |
C28—C29—C30 | 121.3 (4) | Br2—Ru1—Br1 | 98.48 (2) |
C8—C3—C4—C5 | −1.7 (6) | C20—C15—P1—C3 | −153.3 (4) |
P1—C3—C4—C5 | 178.0 (3) | C16—C15—P1—C3 | 32.5 (4) |
C3—C4—C5—C6 | 0.3 (7) | C20—C15—P1—Ru1 | 78.8 (4) |
C4—C5—C6—C7 | 1.4 (7) | C16—C15—P1—Ru1 | −95.3 (4) |
C5—C6—C7—C8 | −1.6 (7) | C32—C27—P2—C33 | 91.5 (5) |
C6—C7—C8—C3 | 0.2 (7) | C28—C27—P2—C33 | −81.4 (4) |
C4—C3—C8—C7 | 1.5 (6) | C32—C27—P2—C21 | −16.6 (5) |
P1—C3—C8—C7 | −178.3 (3) | C28—C27—P2—C21 | 170.5 (4) |
C14—C9—C10—C11 | −0.9 (8) | C32—C27—P2—Ru1 | −137.5 (4) |
P1—C9—C10—C11 | −172.4 (4) | C28—C27—P2—Ru1 | 49.6 (4) |
C9—C10—C11—C12 | 0.9 (9) | C34—C33—P2—C27 | −44.7 (3) |
C10—C11—C12—C13 | −1.5 (9) | C38—C33—P2—C27 | 137.5 (3) |
C11—C12—C13—C14 | 2.1 (9) | C34—C33—P2—C21 | 64.2 (4) |
C12—C13—C14—C9 | −2.1 (9) | C38—C33—P2—C21 | −113.5 (3) |
C10—C9—C14—C13 | 1.5 (8) | C34—C33—P2—Ru1 | −174.5 (3) |
P1—C9—C14—C13 | 173.4 (4) | C38—C33—P2—Ru1 | 7.7 (4) |
C20—C15—C16—C17 | 1.1 (7) | C22—C21—P2—C27 | −52.1 (4) |
P1—C15—C16—C17 | 175.3 (4) | C26—C21—P2—C27 | 133.9 (4) |
C15—C16—C17—C18 | 0.4 (8) | C22—C21—P2—C33 | −158.4 (4) |
C16—C17—C18—C19 | −0.5 (8) | C26—C21—P2—C33 | 27.7 (4) |
C17—C18—C19—C20 | −0.9 (8) | C22—C21—P2—Ru1 | 73.9 (4) |
C16—C15—C20—C19 | −2.5 (7) | C26—C21—P2—Ru1 | −100.0 (4) |
P1—C15—C20—C19 | −176.6 (4) | O2—C2—Ru1—C1 | −83 (13) |
C18—C19—C20—C15 | 2.4 (8) | O2—C2—Ru1—P1 | −174 (13) |
C26—C21—C22—C23 | 0.1 (7) | O2—C2—Ru1—P2 | 9 (13) |
P2—C21—C22—C23 | −173.8 (4) | O2—C2—Ru1—Br2 | 98 (13) |
C21—C22—C23—C24 | 0.9 (8) | O2—C2—Ru1—Br1 | −66 (14) |
C22—C23—C24—C25 | −0.9 (8) | O1—C1—Ru1—C2 | −30 (22) |
C23—C24—C25—C26 | −0.2 (8) | O1—C1—Ru1—P1 | 61 (22) |
C24—C25—C26—C21 | 1.2 (7) | O1—C1—Ru1—P2 | −121 (22) |
C22—C21—C26—C25 | −1.2 (7) | O1—C1—Ru1—Br2 | −8 (24) |
P2—C21—C26—C25 | 172.8 (4) | O1—C1—Ru1—Br1 | 151 (100) |
C32—C27—C28—C29 | −0.1 (8) | C9—P1—Ru1—C2 | 104.0 (2) |
P2—C27—C28—C29 | 173.2 (4) | C3—P1—Ru1—C2 | −133.0 (2) |
C27—C28—C29—C30 | 0.3 (9) | C15—P1—Ru1—C2 | −14.6 (2) |
C28—C29—C30—C31 | −0.8 (9) | C9—P1—Ru1—C1 | 12.8 (2) |
C29—C30—C31—C32 | 1.1 (9) | C3—P1—Ru1—C1 | 135.8 (2) |
C30—C31—C32—C27 | −1.0 (9) | C15—P1—Ru1—C1 | −105.8 (2) |
C28—C27—C32—C31 | 0.5 (8) | C9—P1—Ru1—P2 | −138.6 (5) |
P2—C27—C32—C31 | −172.5 (4) | C3—P1—Ru1—P2 | −15.6 (6) |
C38—C33—C34—C35 | 0.4 (6) | C15—P1—Ru1—P2 | 102.9 (6) |
P2—C33—C34—C35 | −177.4 (3) | C9—P1—Ru1—Br2 | −170.45 (18) |
C33—C34—C35—C36 | 0.6 (6) | C3—P1—Ru1—Br2 | −47.45 (15) |
C34—C35—C36—C37 | −0.8 (6) | C15—P1—Ru1—Br2 | 70.98 (17) |
C35—C36—C37—C38 | 0.0 (6) | C9—P1—Ru1—Br1 | −71.96 (18) |
C36—C37—C38—C33 | 1.1 (6) | C3—P1—Ru1—Br1 | 51.04 (15) |
C34—C33—C38—C37 | −1.3 (6) | C15—P1—Ru1—Br1 | 169.47 (17) |
P2—C33—C38—C37 | 176.5 (3) | C27—P2—Ru1—C2 | 10.2 (2) |
C10—C9—P1—C3 | 83.8 (5) | C33—P2—Ru1—C2 | 132.57 (19) |
C14—C9—P1—C3 | −87.7 (4) | C21—P2—Ru1—C2 | −108.7 (2) |
C10—C9—P1—C15 | −23.7 (5) | C27—P2—Ru1—C1 | 101.3 (2) |
C14—C9—P1—C15 | 164.9 (4) | C33—P2—Ru1—C1 | −136.3 (2) |
C10—C9—P1—Ru1 | −144.7 (4) | C21—P2—Ru1—C1 | −17.5 (2) |
C14—C9—P1—Ru1 | 43.8 (4) | C27—P2—Ru1—P1 | −107.3 (6) |
C4—C3—P1—C9 | 128.9 (4) | C33—P2—Ru1—P1 | 15.1 (6) |
C8—C3—P1—C9 | −51.3 (4) | C21—P2—Ru1—P1 | 133.9 (5) |
C4—C3—P1—C15 | −122.4 (4) | C27—P2—Ru1—Br2 | −75.43 (17) |
C8—C3—P1—C15 | 57.4 (4) | C33—P2—Ru1—Br2 | 46.96 (14) |
C4—C3—P1—Ru1 | −0.8 (4) | C21—P2—Ru1—Br2 | 165.73 (17) |
C8—C3—P1—Ru1 | 179.0 (3) | C27—P2—Ru1—Br1 | −173.95 (17) |
C20—C15—P1—C9 | −46.7 (5) | C33—P2—Ru1—Br1 | −51.55 (14) |
C16—C15—P1—C9 | 139.2 (4) | C21—P2—Ru1—Br1 | 67.21 (17) |