Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806015637/my3004sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806015637/my3004Isup2.hkl |
CCDC reference: 610852
Key indicators
- Single-crystal X-ray study
- T = 150 K
- Mean (C-C) = 0.003 Å
- R factor = 0.027
- wR factor = 0.067
- Data-to-parameter ratio = 19.4
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.51 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Rh1 - P1 .. 5.36 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Rh1 - C01 .. 9.14 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Rh2 - C02 .. 9.56 su PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 4
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus and XPREP (Bruker 2004); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).
[RhCl(C18H12F3P)(CO)] | Z = 4 |
Mr = 798.86 | F(000) = 1600 |
Triclinic, P1 | Dx = 1.578 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 11.0530 (4) Å | Cell parameters from 7376 reflections |
b = 12.0560 (4) Å | θ = 2.9–28.3° |
c = 26.5140 (9) Å | µ = 0.75 mm−1 |
α = 83.685 (2)° | T = 150 K |
β = 84.150 (2)° | Cuboid, yellow |
γ = 73.725 (2)° | 0.30 × 0.11 × 0.06 mm |
V = 3361.6 (2) Å3 |
Bruker X8 APEXII 4K KappaCCD area-detector diffractometer | 16749 independent reflections |
Radiation source: fine-focus sealed tube | 14119 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.031 |
ω and φ scans | θmax = 28.3°, θmin = 0.8° |
Absorption correction: multi-scan (SADABS; Bruker, 1998) | h = −14→14 |
Tmin = 0.807, Tmax = 0.957 | k = −16→16 |
59610 measured reflections | l = −35→35 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.027 | w = 1/[σ2(Fo2) + (0.0273P)2 + 2.075P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.067 | (Δ/σ)max = 0.001 |
S = 1.01 | Δρmax = 0.52 e Å−3 |
16749 reflections | Δρmin = −0.35 e Å−3 |
865 parameters |
Experimental. The intensity data were collected on a Bruker X8 Apex II 4 K Kappa CCD diffractometer using an exposure time of 10 s per frame. A total of 2216 frames were collected with a frame width of 0.5° covering up to θ = 28.34° with 99.7% completeness accomplished. |
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. |
x | y | z | Uiso*/Ueq | ||
Rh1 | 0.982452 (13) | 0.602025 (12) | 0.132789 (5) | 0.01665 (4) | |
P1 | 0.98366 (5) | 0.41183 (4) | 0.126869 (19) | 0.01894 (10) | |
P2 | 0.98859 (5) | 0.78457 (4) | 0.150646 (18) | 0.01777 (9) | |
Cl1 | 0.80794 (4) | 0.61249 (4) | 0.193616 (18) | 0.02434 (10) | |
C01 | 1.11113 (19) | 0.59185 (16) | 0.08361 (8) | 0.0237 (4) | |
O01 | 1.18989 (15) | 0.58450 (14) | 0.05152 (6) | 0.0373 (4) | |
C1 | 1.10414 (18) | 0.33698 (15) | 0.08022 (7) | 0.0197 (4) | |
C2 | 1.07659 (19) | 0.35813 (16) | 0.02928 (7) | 0.0234 (4) | |
H2 | 0.9953 | 0.3988 | 0.0211 | 0.028* | |
C3 | 1.1680 (2) | 0.31963 (17) | −0.00912 (8) | 0.0250 (4) | |
H3 | 1.1497 | 0.3344 | −0.0431 | 0.03* | |
C4 | 1.28690 (19) | 0.25897 (17) | 0.00420 (8) | 0.0254 (4) | |
C5 | 1.31731 (19) | 0.23326 (19) | 0.05362 (8) | 0.0285 (4) | |
H5 | 1.3981 | 0.1901 | 0.0614 | 0.034* | |
C6 | 1.22469 (19) | 0.27311 (17) | 0.09210 (8) | 0.0254 (4) | |
H6 | 1.2438 | 0.2568 | 0.1259 | 0.031* | |
C7 | 1.02247 (18) | 0.33193 (16) | 0.18791 (7) | 0.0227 (4) | |
C8 | 0.9577 (2) | 0.25592 (18) | 0.21324 (9) | 0.0317 (5) | |
H8 | 0.8911 | 0.2423 | 0.1984 | 0.038* | |
C9 | 0.9916 (2) | 0.2002 (2) | 0.26043 (9) | 0.0390 (6) | |
H9 | 0.9483 | 0.1495 | 0.2774 | 0.047* | |
C10 | 1.0904 (2) | 0.2216 (2) | 0.28138 (8) | 0.0363 (5) | |
C11 | 1.1567 (2) | 0.29657 (19) | 0.25811 (8) | 0.0327 (5) | |
H11 | 1.2234 | 0.3092 | 0.2733 | 0.039* | |
C12 | 1.1207 (2) | 0.35285 (18) | 0.21122 (8) | 0.0273 (4) | |
H12 | 1.1628 | 0.4054 | 0.1951 | 0.033* | |
C13 | 0.84346 (19) | 0.38228 (17) | 0.10730 (8) | 0.0245 (4) | |
C14 | 0.8480 (2) | 0.27148 (19) | 0.09472 (9) | 0.0353 (5) | |
H14 | 0.9184 | 0.2101 | 0.1017 | 0.042* | |
C15 | 0.7499 (3) | 0.2517 (2) | 0.07222 (10) | 0.0460 (6) | |
H15 | 0.7531 | 0.1778 | 0.0641 | 0.055* | |
C16 | 0.6479 (3) | 0.3436 (3) | 0.06210 (11) | 0.0493 (7) | |
C17 | 0.6375 (2) | 0.4534 (2) | 0.07465 (10) | 0.0428 (6) | |
H17 | 0.566 | 0.5137 | 0.0678 | 0.051* | |
C18 | 0.7364 (2) | 0.47234 (19) | 0.09783 (8) | 0.0300 (5) | |
H18 | 0.7306 | 0.546 | 0.1071 | 0.036* | |
C19 | 1.09004 (18) | 0.85556 (16) | 0.10779 (7) | 0.0205 (4) | |
C20 | 1.0448 (2) | 0.95735 (18) | 0.07755 (8) | 0.0310 (5) | |
H20 | 0.9587 | 0.9946 | 0.0794 | 0.037* | |
C21 | 1.1272 (2) | 1.0042 (2) | 0.04443 (9) | 0.0396 (6) | |
H21 | 1.0971 | 1.0728 | 0.0243 | 0.047* | |
C22 | 1.2527 (2) | 0.94756 (19) | 0.04210 (8) | 0.0322 (5) | |
C23 | 1.3019 (2) | 0.84748 (19) | 0.07119 (8) | 0.0312 (5) | |
H23 | 1.3882 | 0.8112 | 0.0689 | 0.037* | |
C24 | 1.2197 (2) | 0.80126 (18) | 0.10431 (8) | 0.0273 (4) | |
H24 | 1.2513 | 0.7331 | 0.1245 | 0.033* | |
C25 | 1.04585 (18) | 0.78423 (16) | 0.21283 (7) | 0.0208 (4) | |
C26 | 1.0397 (2) | 0.69491 (19) | 0.24960 (8) | 0.0344 (5) | |
H26 | 1.0114 | 0.6337 | 0.2416 | 0.041* | |
C27 | 1.0752 (3) | 0.6953 (2) | 0.29811 (9) | 0.0432 (6) | |
H27 | 1.0716 | 0.6348 | 0.3227 | 0.052* | |
C28 | 1.1157 (2) | 0.7866 (2) | 0.30926 (8) | 0.0362 (5) | |
C29 | 1.1270 (2) | 0.8751 (2) | 0.27343 (9) | 0.0354 (5) | |
H29 | 1.1573 | 0.9349 | 0.2816 | 0.042* | |
C30 | 1.0922 (2) | 0.87332 (18) | 0.22497 (8) | 0.0297 (5) | |
H30 | 1.0998 | 0.9324 | 0.2002 | 0.036* | |
C31 | 0.83479 (18) | 0.89138 (15) | 0.15184 (7) | 0.0198 (4) | |
C32 | 0.7923 (2) | 0.96825 (18) | 0.18928 (8) | 0.0283 (4) | |
H32 | 0.8426 | 0.9656 | 0.2157 | 0.034* | |
C33 | 0.6752 (2) | 1.04890 (19) | 0.18756 (8) | 0.0339 (5) | |
H33 | 0.6464 | 1.1008 | 0.2125 | 0.041* | |
C34 | 0.60302 (19) | 1.05055 (17) | 0.14847 (8) | 0.0270 (4) | |
C35 | 0.6394 (2) | 0.97496 (18) | 0.11142 (8) | 0.0277 (4) | |
H35 | 0.5873 | 0.9773 | 0.0857 | 0.033* | |
C36 | 0.75685 (19) | 0.89456 (17) | 0.11356 (8) | 0.0272 (4) | |
H36 | 0.7838 | 0.8419 | 0.0889 | 0.033* | |
F1 | 1.37785 (12) | 0.22313 (12) | −0.03358 (5) | 0.0362 (3) | |
F2 | 1.12383 (14) | 0.16714 (14) | 0.32750 (5) | 0.0523 (4) | |
F3 | 0.55360 (17) | 0.32539 (18) | 0.03804 (8) | 0.0788 (6) | |
F4 | 1.33317 (15) | 0.99241 (13) | 0.00941 (6) | 0.0497 (4) | |
F5 | 1.14937 (18) | 0.78836 (14) | 0.35676 (5) | 0.0580 (5) | |
F6 | 0.48846 (12) | 1.13076 (12) | 0.14666 (5) | 0.0398 (3) | |
Rh2 | 0.543138 (13) | 0.156397 (11) | 0.367911 (5) | 0.01554 (4) | |
P3 | 0.53595 (4) | −0.03462 (4) | 0.374217 (18) | 0.01697 (9) | |
P4 | 0.54185 (4) | 0.34987 (4) | 0.350675 (18) | 0.01673 (9) | |
Cl2 | 0.72729 (4) | 0.10095 (4) | 0.312189 (17) | 0.02167 (9) | |
C02 | 0.40659 (19) | 0.19151 (16) | 0.41355 (8) | 0.0241 (4) | |
O02 | 0.32293 (16) | 0.21035 (13) | 0.44356 (7) | 0.0411 (4) | |
C37 | 0.40666 (17) | −0.06274 (15) | 0.41794 (7) | 0.0188 (4) | |
C38 | 0.28580 (18) | −0.04647 (17) | 0.40281 (7) | 0.0230 (4) | |
H38 | 0.2716 | −0.0312 | 0.3684 | 0.028* | |
C39 | 0.18560 (19) | −0.05268 (18) | 0.43833 (8) | 0.0269 (4) | |
H39 | 0.1046 | −0.0412 | 0.4282 | 0.032* | |
C40 | 0.20969 (19) | −0.07620 (17) | 0.48860 (8) | 0.0254 (4) | |
C41 | 0.32785 (19) | −0.09436 (17) | 0.50532 (7) | 0.0240 (4) | |
H41 | 0.3413 | −0.1112 | 0.5397 | 0.029* | |
C42 | 0.42633 (19) | −0.08688 (16) | 0.46962 (7) | 0.0218 (4) | |
H42 | 0.5069 | −0.0981 | 0.4802 | 0.026* | |
C43 | 0.50482 (18) | −0.06915 (16) | 0.31259 (7) | 0.0208 (4) | |
C44 | 0.5650 (2) | −0.17249 (19) | 0.29097 (8) | 0.0297 (5) | |
H44 | 0.6272 | −0.2284 | 0.3079 | 0.036* | |
C45 | 0.5325 (2) | −0.1926 (2) | 0.24414 (9) | 0.0370 (5) | |
H45 | 0.5726 | −0.2615 | 0.2295 | 0.044* | |
C46 | 0.4410 (2) | −0.1096 (2) | 0.22013 (8) | 0.0359 (5) | |
C47 | 0.3810 (2) | −0.0048 (2) | 0.23936 (8) | 0.0317 (5) | |
H47 | 0.3198 | 0.0507 | 0.2218 | 0.038* | |
C48 | 0.41489 (18) | 0.01526 (17) | 0.28572 (7) | 0.0240 (4) | |
H48 | 0.3772 | 0.086 | 0.2991 | 0.029* | |
C49 | 0.66917 (17) | −0.14867 (15) | 0.39767 (7) | 0.0208 (4) | |
C50 | 0.6559 (2) | −0.26035 (17) | 0.41063 (8) | 0.0281 (4) | |
H50 | 0.585 | −0.2788 | 0.4019 | 0.034* | |
C51 | 0.7470 (2) | −0.34359 (18) | 0.43627 (9) | 0.0333 (5) | |
H51 | 0.7385 | −0.4181 | 0.4447 | 0.04* | |
C52 | 0.8504 (2) | −0.31370 (19) | 0.44901 (9) | 0.0324 (5) | |
C53 | 0.8691 (2) | −0.20618 (19) | 0.43569 (9) | 0.0321 (5) | |
H53 | 0.9415 | −0.1893 | 0.4439 | 0.038* | |
C54 | 0.77706 (18) | −0.12310 (17) | 0.40966 (8) | 0.0250 (4) | |
H54 | 0.788 | −0.0497 | 0.4002 | 0.03* | |
C55 | 0.43655 (18) | 0.45220 (15) | 0.39234 (7) | 0.0191 (4) | |
C56 | 0.30749 (19) | 0.46226 (17) | 0.39461 (8) | 0.0244 (4) | |
H56 | 0.278 | 0.4178 | 0.3748 | 0.029* | |
C57 | 0.2224 (2) | 0.53727 (18) | 0.42583 (8) | 0.0272 (4) | |
H57 | 0.1363 | 0.5436 | 0.4274 | 0.033* | |
C58 | 0.2692 (2) | 0.60222 (17) | 0.45450 (8) | 0.0262 (4) | |
C59 | 0.3944 (2) | 0.59530 (18) | 0.45347 (8) | 0.0311 (5) | |
H59 | 0.4227 | 0.6407 | 0.4732 | 0.037* | |
C60 | 0.4792 (2) | 0.51899 (17) | 0.42222 (8) | 0.0267 (4) | |
H60 | 0.5652 | 0.5127 | 0.4214 | 0.032* | |
C61 | 0.69468 (17) | 0.37854 (15) | 0.35186 (7) | 0.0186 (4) | |
C62 | 0.73749 (19) | 0.45517 (18) | 0.31631 (8) | 0.0260 (4) | |
H62 | 0.6881 | 0.4929 | 0.2899 | 0.031* | |
C63 | 0.8531 (2) | 0.4758 (2) | 0.31995 (9) | 0.0327 (5) | |
H63 | 0.8822 | 0.5267 | 0.2961 | 0.039* | |
C64 | 0.92382 (19) | 0.41980 (18) | 0.35926 (8) | 0.0271 (4) | |
C65 | 0.88675 (19) | 0.34178 (18) | 0.39497 (8) | 0.0274 (4) | |
H65 | 0.9374 | 0.3039 | 0.421 | 0.033* | |
C66 | 0.77089 (19) | 0.32177 (17) | 0.39058 (8) | 0.0265 (4) | |
H66 | 0.7435 | 0.2691 | 0.4141 | 0.032* | |
C67 | 0.48800 (17) | 0.40944 (16) | 0.28813 (7) | 0.0198 (4) | |
C68 | 0.4292 (2) | 0.52684 (18) | 0.27741 (8) | 0.0321 (5) | |
H68 | 0.4169 | 0.5774 | 0.3027 | 0.038* | |
C69 | 0.3889 (2) | 0.56928 (19) | 0.22936 (9) | 0.0363 (5) | |
H69 | 0.3493 | 0.6476 | 0.2222 | 0.044* | |
C70 | 0.4089 (2) | 0.4930 (2) | 0.19280 (8) | 0.0336 (5) | |
C71 | 0.4655 (3) | 0.3775 (2) | 0.20184 (9) | 0.0463 (7) | |
H71 | 0.478 | 0.3277 | 0.1762 | 0.056* | |
C72 | 0.5040 (2) | 0.33603 (19) | 0.24990 (8) | 0.0372 (5) | |
H72 | 0.5415 | 0.2572 | 0.2567 | 0.045* | |
F7 | 0.11315 (12) | −0.08361 (12) | 0.52382 (5) | 0.0364 (3) | |
F8 | 0.93552 (13) | −0.39382 (12) | 0.47639 (6) | 0.0505 (4) | |
F9 | 0.40806 (15) | −0.12999 (15) | 0.17490 (5) | 0.0548 (4) | |
F10 | 0.18585 (13) | 0.67648 (11) | 0.48493 (5) | 0.0401 (3) | |
F11 | 1.03750 (12) | 0.44014 (13) | 0.36296 (5) | 0.0413 (3) | |
F12 | 0.36870 (16) | 0.53334 (13) | 0.14593 (5) | 0.0526 (4) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Rh1 | 0.01801 (7) | 0.01439 (7) | 0.01731 (7) | −0.00430 (5) | −0.00050 (5) | −0.00126 (5) |
P1 | 0.0200 (2) | 0.0158 (2) | 0.0212 (2) | −0.00529 (18) | −0.00105 (18) | −0.00152 (18) |
P2 | 0.0204 (2) | 0.0146 (2) | 0.0181 (2) | −0.00446 (18) | −0.00158 (18) | −0.00095 (17) |
Cl1 | 0.0236 (2) | 0.0260 (2) | 0.0226 (2) | −0.00713 (19) | 0.00555 (18) | −0.00408 (18) |
C01 | 0.0284 (10) | 0.0201 (9) | 0.0240 (10) | −0.0085 (8) | −0.0017 (8) | −0.0031 (7) |
O01 | 0.0399 (9) | 0.0400 (9) | 0.0339 (9) | −0.0175 (8) | 0.0151 (7) | −0.0108 (7) |
C1 | 0.0228 (9) | 0.0141 (8) | 0.0229 (9) | −0.0063 (7) | −0.0003 (7) | −0.0021 (7) |
C2 | 0.0253 (10) | 0.0182 (9) | 0.0247 (10) | −0.0018 (8) | −0.0053 (8) | −0.0017 (7) |
C3 | 0.0321 (11) | 0.0231 (9) | 0.0204 (10) | −0.0081 (8) | −0.0040 (8) | −0.0012 (7) |
C4 | 0.0256 (10) | 0.0278 (10) | 0.0238 (10) | −0.0094 (8) | 0.0043 (8) | −0.0071 (8) |
C5 | 0.0202 (10) | 0.0344 (11) | 0.0299 (11) | −0.0040 (8) | −0.0040 (8) | −0.0050 (9) |
C6 | 0.0249 (10) | 0.0279 (10) | 0.0223 (10) | −0.0044 (8) | −0.0036 (8) | −0.0025 (8) |
C7 | 0.0239 (10) | 0.0184 (9) | 0.0223 (10) | −0.0022 (8) | 0.0017 (8) | 0.0009 (7) |
C8 | 0.0271 (11) | 0.0272 (11) | 0.0375 (12) | −0.0067 (9) | 0.0009 (9) | 0.0064 (9) |
C9 | 0.0315 (12) | 0.0334 (12) | 0.0426 (14) | −0.0033 (10) | 0.0065 (10) | 0.0149 (10) |
C10 | 0.0329 (12) | 0.0354 (12) | 0.0242 (11) | 0.0096 (10) | 0.0058 (9) | 0.0106 (9) |
C11 | 0.0322 (12) | 0.0362 (12) | 0.0247 (11) | −0.0017 (10) | −0.0035 (9) | 0.0005 (9) |
C12 | 0.0314 (11) | 0.0257 (10) | 0.0236 (10) | −0.0079 (9) | −0.0007 (8) | 0.0017 (8) |
C13 | 0.0255 (10) | 0.0257 (10) | 0.0255 (10) | −0.0129 (8) | 0.0004 (8) | −0.0028 (8) |
C14 | 0.0366 (12) | 0.0283 (11) | 0.0451 (14) | −0.0156 (10) | −0.0015 (10) | −0.0050 (10) |
C15 | 0.0513 (16) | 0.0462 (15) | 0.0541 (16) | −0.0330 (13) | −0.0003 (13) | −0.0132 (12) |
C16 | 0.0402 (15) | 0.0705 (19) | 0.0518 (16) | −0.0364 (14) | −0.0060 (12) | −0.0087 (14) |
C17 | 0.0246 (12) | 0.0549 (16) | 0.0503 (15) | −0.0120 (11) | −0.0061 (11) | −0.0046 (12) |
C18 | 0.0255 (11) | 0.0345 (11) | 0.0315 (11) | −0.0108 (9) | −0.0002 (9) | −0.0040 (9) |
C19 | 0.0257 (10) | 0.0183 (9) | 0.0190 (9) | −0.0083 (8) | −0.0010 (7) | −0.0018 (7) |
C20 | 0.0326 (12) | 0.0224 (10) | 0.0333 (12) | −0.0037 (9) | 0.0000 (9) | 0.0053 (8) |
C21 | 0.0496 (15) | 0.0276 (11) | 0.0365 (13) | −0.0100 (11) | 0.0022 (11) | 0.0122 (10) |
C22 | 0.0435 (13) | 0.0318 (11) | 0.0250 (11) | −0.0202 (10) | 0.0098 (9) | −0.0031 (9) |
C23 | 0.0273 (11) | 0.0340 (11) | 0.0334 (12) | −0.0116 (9) | 0.0046 (9) | −0.0049 (9) |
C24 | 0.0269 (10) | 0.0258 (10) | 0.0284 (11) | −0.0083 (8) | −0.0015 (8) | 0.0038 (8) |
C25 | 0.0223 (9) | 0.0209 (9) | 0.0192 (9) | −0.0058 (7) | −0.0032 (7) | −0.0008 (7) |
C26 | 0.0522 (14) | 0.0311 (11) | 0.0279 (11) | −0.0239 (11) | −0.0121 (10) | 0.0046 (9) |
C27 | 0.0706 (18) | 0.0418 (13) | 0.0281 (12) | −0.0337 (13) | −0.0178 (12) | 0.0118 (10) |
C28 | 0.0501 (14) | 0.0428 (13) | 0.0231 (11) | −0.0221 (11) | −0.0126 (10) | −0.0001 (9) |
C29 | 0.0468 (14) | 0.0378 (12) | 0.0312 (12) | −0.0257 (11) | −0.0065 (10) | −0.0041 (9) |
C30 | 0.0387 (12) | 0.0290 (11) | 0.0266 (11) | −0.0185 (9) | −0.0046 (9) | 0.0013 (8) |
C31 | 0.0220 (9) | 0.0160 (8) | 0.0212 (9) | −0.0049 (7) | −0.0010 (7) | −0.0011 (7) |
C32 | 0.0306 (11) | 0.0290 (10) | 0.0233 (10) | −0.0016 (9) | −0.0059 (8) | −0.0071 (8) |
C33 | 0.0354 (12) | 0.0317 (11) | 0.0275 (11) | 0.0067 (9) | −0.0040 (9) | −0.0125 (9) |
C34 | 0.0252 (10) | 0.0239 (10) | 0.0249 (10) | 0.0030 (8) | −0.0003 (8) | 0.0008 (8) |
C35 | 0.0272 (11) | 0.0288 (10) | 0.0261 (11) | −0.0038 (9) | −0.0065 (8) | −0.0045 (8) |
C36 | 0.0273 (10) | 0.0255 (10) | 0.0280 (11) | −0.0021 (8) | −0.0041 (8) | −0.0108 (8) |
F1 | 0.0285 (7) | 0.0502 (8) | 0.0289 (7) | −0.0093 (6) | 0.0078 (5) | −0.0122 (6) |
F2 | 0.0453 (9) | 0.0595 (10) | 0.0318 (8) | 0.0073 (7) | 0.0015 (6) | 0.0226 (7) |
F3 | 0.0533 (11) | 0.1048 (15) | 0.1012 (15) | −0.0470 (11) | −0.0242 (10) | −0.0237 (12) |
F4 | 0.0591 (10) | 0.0470 (8) | 0.0433 (8) | −0.0266 (8) | 0.0207 (7) | 0.0040 (7) |
F5 | 0.0975 (13) | 0.0662 (10) | 0.0290 (8) | −0.0487 (10) | −0.0275 (8) | 0.0057 (7) |
F6 | 0.0323 (7) | 0.0390 (7) | 0.0355 (7) | 0.0132 (6) | −0.0061 (6) | −0.0062 (6) |
Rh2 | 0.01657 (7) | 0.01362 (7) | 0.01662 (7) | −0.00497 (5) | −0.00043 (5) | −0.00052 (5) |
P3 | 0.0171 (2) | 0.0146 (2) | 0.0197 (2) | −0.00507 (17) | −0.00151 (18) | −0.00113 (17) |
P4 | 0.0177 (2) | 0.0144 (2) | 0.0186 (2) | −0.00562 (17) | −0.00140 (18) | −0.00025 (17) |
Cl2 | 0.0201 (2) | 0.0223 (2) | 0.0211 (2) | −0.00542 (17) | 0.00395 (17) | −0.00117 (17) |
C02 | 0.0287 (10) | 0.0165 (9) | 0.0265 (10) | −0.0070 (8) | 0.0005 (8) | −0.0004 (7) |
O02 | 0.0428 (10) | 0.0305 (8) | 0.0445 (10) | −0.0092 (7) | 0.0233 (8) | −0.0059 (7) |
C37 | 0.0204 (9) | 0.0149 (8) | 0.0218 (9) | −0.0069 (7) | −0.0008 (7) | −0.0002 (7) |
C38 | 0.0229 (10) | 0.0266 (10) | 0.0197 (9) | −0.0081 (8) | −0.0028 (7) | 0.0015 (7) |
C39 | 0.0181 (9) | 0.0348 (11) | 0.0278 (11) | −0.0078 (8) | −0.0016 (8) | −0.0012 (9) |
C40 | 0.0254 (10) | 0.0237 (10) | 0.0253 (10) | −0.0073 (8) | 0.0068 (8) | −0.0010 (8) |
C41 | 0.0298 (10) | 0.0232 (9) | 0.0185 (9) | −0.0075 (8) | −0.0011 (8) | 0.0013 (7) |
C42 | 0.0231 (10) | 0.0195 (9) | 0.0241 (10) | −0.0076 (8) | −0.0055 (8) | 0.0011 (7) |
C43 | 0.0204 (9) | 0.0236 (9) | 0.0207 (9) | −0.0102 (8) | 0.0012 (7) | −0.0043 (7) |
C44 | 0.0250 (10) | 0.0291 (11) | 0.0355 (12) | −0.0057 (9) | −0.0010 (9) | −0.0108 (9) |
C45 | 0.0334 (12) | 0.0428 (13) | 0.0387 (13) | −0.0112 (10) | 0.0049 (10) | −0.0249 (11) |
C46 | 0.0326 (12) | 0.0586 (15) | 0.0244 (11) | −0.0217 (11) | 0.0014 (9) | −0.0170 (10) |
C47 | 0.0263 (11) | 0.0460 (13) | 0.0247 (11) | −0.0123 (10) | −0.0032 (8) | −0.0032 (9) |
C48 | 0.0233 (10) | 0.0271 (10) | 0.0224 (10) | −0.0084 (8) | 0.0004 (8) | −0.0034 (8) |
C49 | 0.0185 (9) | 0.0160 (8) | 0.0255 (10) | −0.0015 (7) | −0.0008 (7) | −0.0006 (7) |
C50 | 0.0263 (10) | 0.0191 (9) | 0.0388 (12) | −0.0058 (8) | −0.0038 (9) | −0.0012 (8) |
C51 | 0.0298 (11) | 0.0179 (9) | 0.0463 (14) | −0.0015 (8) | 0.0026 (10) | 0.0044 (9) |
C52 | 0.0203 (10) | 0.0309 (11) | 0.0354 (12) | 0.0043 (9) | 0.0026 (9) | 0.0095 (9) |
C53 | 0.0184 (10) | 0.0340 (11) | 0.0410 (13) | −0.0053 (9) | −0.0047 (9) | 0.0065 (10) |
C54 | 0.0206 (10) | 0.0224 (9) | 0.0306 (11) | −0.0061 (8) | 0.0006 (8) | 0.0022 (8) |
C55 | 0.0223 (9) | 0.0149 (8) | 0.0203 (9) | −0.0061 (7) | −0.0011 (7) | −0.0002 (7) |
C56 | 0.0235 (10) | 0.0239 (10) | 0.0271 (10) | −0.0073 (8) | −0.0022 (8) | −0.0052 (8) |
C57 | 0.0223 (10) | 0.0287 (10) | 0.0293 (11) | −0.0054 (8) | 0.0011 (8) | −0.0036 (8) |
C58 | 0.0330 (11) | 0.0210 (9) | 0.0217 (10) | −0.0047 (8) | 0.0065 (8) | −0.0037 (8) |
C59 | 0.0383 (12) | 0.0284 (11) | 0.0310 (11) | −0.0137 (9) | 0.0003 (9) | −0.0121 (9) |
C60 | 0.0267 (10) | 0.0263 (10) | 0.0304 (11) | −0.0116 (8) | −0.0010 (8) | −0.0060 (8) |
C61 | 0.0184 (9) | 0.0168 (8) | 0.0213 (9) | −0.0061 (7) | 0.0003 (7) | −0.0028 (7) |
C62 | 0.0265 (10) | 0.0295 (10) | 0.0238 (10) | −0.0128 (9) | −0.0035 (8) | 0.0052 (8) |
C63 | 0.0330 (12) | 0.0383 (12) | 0.0310 (12) | −0.0212 (10) | −0.0007 (9) | 0.0081 (9) |
C64 | 0.0205 (10) | 0.0344 (11) | 0.0310 (11) | −0.0151 (9) | 0.0010 (8) | −0.0056 (9) |
C65 | 0.0227 (10) | 0.0349 (11) | 0.0259 (11) | −0.0096 (9) | −0.0064 (8) | 0.0010 (8) |
C66 | 0.0272 (10) | 0.0266 (10) | 0.0264 (10) | −0.0119 (8) | −0.0031 (8) | 0.0070 (8) |
C67 | 0.0187 (9) | 0.0198 (9) | 0.0211 (9) | −0.0061 (7) | −0.0025 (7) | 0.0012 (7) |
C68 | 0.0433 (13) | 0.0211 (10) | 0.0271 (11) | 0.0000 (9) | −0.0069 (9) | −0.0008 (8) |
C69 | 0.0424 (13) | 0.0249 (11) | 0.0331 (12) | 0.0040 (10) | −0.0084 (10) | 0.0044 (9) |
C70 | 0.0380 (12) | 0.0340 (12) | 0.0240 (11) | −0.0026 (10) | −0.0108 (9) | 0.0060 (9) |
C71 | 0.077 (2) | 0.0293 (12) | 0.0271 (12) | 0.0003 (12) | −0.0156 (12) | −0.0053 (9) |
C72 | 0.0574 (16) | 0.0204 (10) | 0.0273 (11) | 0.0022 (10) | −0.0109 (11) | −0.0016 (8) |
F7 | 0.0283 (7) | 0.0466 (8) | 0.0292 (7) | −0.0078 (6) | 0.0090 (5) | 0.0028 (6) |
F8 | 0.0260 (7) | 0.0423 (8) | 0.0671 (10) | 0.0058 (6) | −0.0058 (7) | 0.0264 (7) |
F9 | 0.0528 (9) | 0.0872 (12) | 0.0340 (8) | −0.0249 (9) | −0.0049 (7) | −0.0297 (8) |
F10 | 0.0413 (8) | 0.0381 (7) | 0.0394 (8) | −0.0079 (6) | 0.0143 (6) | −0.0203 (6) |
F11 | 0.0281 (7) | 0.0587 (9) | 0.0457 (8) | −0.0275 (7) | −0.0060 (6) | 0.0029 (7) |
F12 | 0.0707 (11) | 0.0475 (9) | 0.0285 (7) | 0.0042 (8) | −0.0210 (7) | 0.0066 (6) |
Rh1—C01 | 1.816 (2) | Rh2—C02 | 1.818 (2) |
Rh1—P1 | 2.3118 (5) | Rh2—P3 | 2.3136 (5) |
Rh1—P2 | 2.3220 (5) | Rh2—P4 | 2.3233 (5) |
Rh1—Cl1 | 2.3689 (5) | Rh2—Cl2 | 2.3694 (5) |
P1—C7 | 1.816 (2) | P3—C43 | 1.8183 (19) |
P1—C13 | 1.820 (2) | P3—C49 | 1.8192 (19) |
P1—C1 | 1.8314 (19) | P3—C37 | 1.8298 (19) |
P2—C31 | 1.8221 (19) | P4—C61 | 1.8205 (18) |
P2—C25 | 1.8244 (19) | P4—C67 | 1.8220 (19) |
P2—C19 | 1.8290 (19) | P4—C55 | 1.8248 (19) |
C01—O01 | 1.145 (2) | C02—O02 | 1.145 (2) |
C1—C6 | 1.387 (3) | C37—C38 | 1.389 (3) |
C1—C2 | 1.395 (3) | C37—C42 | 1.396 (3) |
C2—C3 | 1.380 (3) | C38—C39 | 1.392 (3) |
C2—H2 | 0.93 | C38—H38 | 0.93 |
C3—C4 | 1.373 (3) | C39—C40 | 1.369 (3) |
C3—H3 | 0.93 | C39—H39 | 0.93 |
C4—F1 | 1.359 (2) | C40—F7 | 1.360 (2) |
C4—C5 | 1.367 (3) | C40—C41 | 1.374 (3) |
C5—C6 | 1.392 (3) | C41—C42 | 1.384 (3) |
C5—H5 | 0.93 | C41—H41 | 0.93 |
C6—H6 | 0.93 | C42—H42 | 0.93 |
C7—C8 | 1.392 (3) | C43—C44 | 1.392 (3) |
C7—C12 | 1.396 (3) | C43—C48 | 1.396 (3) |
C8—C9 | 1.388 (3) | C44—C45 | 1.391 (3) |
C8—H8 | 0.93 | C44—H44 | 0.93 |
C9—C10 | 1.370 (4) | C45—C46 | 1.362 (3) |
C9—H9 | 0.93 | C45—H45 | 0.93 |
C10—F2 | 1.357 (2) | C46—F9 | 1.355 (2) |
C10—C11 | 1.376 (3) | C46—C47 | 1.378 (3) |
C11—C12 | 1.389 (3) | C47—C48 | 1.385 (3) |
C11—H11 | 0.93 | C47—H47 | 0.93 |
C12—H12 | 0.93 | C48—H48 | 0.93 |
C13—C18 | 1.387 (3) | C49—C54 | 1.387 (3) |
C13—C14 | 1.398 (3) | C49—C50 | 1.397 (3) |
C14—C15 | 1.377 (3) | C50—C51 | 1.380 (3) |
C14—H14 | 0.93 | C50—H50 | 0.93 |
C15—C16 | 1.367 (4) | C51—C52 | 1.374 (3) |
C15—H15 | 0.93 | C51—H51 | 0.93 |
C16—F3 | 1.355 (3) | C52—F8 | 1.349 (2) |
C16—C17 | 1.371 (4) | C52—C53 | 1.372 (3) |
C17—C18 | 1.390 (3) | C53—C54 | 1.391 (3) |
C17—H17 | 0.93 | C53—H53 | 0.93 |
C18—H18 | 0.93 | C54—H54 | 0.93 |
C19—C20 | 1.386 (3) | C55—C60 | 1.389 (3) |
C19—C24 | 1.397 (3) | C55—C56 | 1.393 (3) |
C20—C21 | 1.391 (3) | C56—C57 | 1.385 (3) |
C20—H20 | 0.93 | C56—H56 | 0.93 |
C21—C22 | 1.363 (3) | C57—C58 | 1.377 (3) |
C21—H21 | 0.93 | C57—H57 | 0.93 |
C22—F4 | 1.358 (2) | C58—F10 | 1.359 (2) |
C22—C23 | 1.363 (3) | C58—C59 | 1.360 (3) |
C23—C24 | 1.386 (3) | C59—C60 | 1.392 (3) |
C23—H23 | 0.93 | C59—H59 | 0.93 |
C24—H24 | 0.93 | C60—H60 | 0.93 |
C25—C26 | 1.383 (3) | C61—C62 | 1.389 (3) |
C25—C30 | 1.392 (3) | C61—C66 | 1.389 (3) |
C26—C27 | 1.383 (3) | C62—C63 | 1.383 (3) |
C26—H26 | 0.93 | C62—H62 | 0.93 |
C27—C28 | 1.368 (3) | C63—C64 | 1.367 (3) |
C27—H27 | 0.93 | C63—H63 | 0.93 |
C28—F5 | 1.353 (2) | C64—F11 | 1.361 (2) |
C28—C29 | 1.372 (3) | C64—C65 | 1.375 (3) |
C29—C30 | 1.382 (3) | C65—C66 | 1.386 (3) |
C29—H29 | 0.93 | C65—H65 | 0.93 |
C30—H30 | 0.93 | C66—H66 | 0.93 |
C31—C36 | 1.387 (3) | C67—C72 | 1.384 (3) |
C31—C32 | 1.389 (3) | C67—C68 | 1.393 (3) |
C32—C33 | 1.385 (3) | C68—C69 | 1.389 (3) |
C32—H32 | 0.93 | C68—H68 | 0.93 |
C33—C34 | 1.366 (3) | C69—C70 | 1.368 (3) |
C33—H33 | 0.93 | C69—H69 | 0.93 |
C34—F6 | 1.363 (2) | C70—F12 | 1.355 (2) |
C34—C35 | 1.367 (3) | C70—C71 | 1.363 (3) |
C35—C36 | 1.387 (3) | C71—C72 | 1.381 (3) |
C35—H35 | 0.93 | C71—H71 | 0.93 |
C36—H36 | 0.93 | C72—H72 | 0.93 |
C01—Rh1—P1 | 91.41 (6) | C02—Rh2—P3 | 90.30 (6) |
C01—Rh1—P2 | 92.43 (6) | C02—Rh2—P4 | 92.37 (6) |
P1—Rh1—P2 | 171.800 (18) | P3—Rh2—P4 | 172.352 (18) |
C01—Rh1—Cl1 | 176.78 (6) | C02—Rh2—Cl2 | 176.36 (6) |
P1—Rh1—Cl1 | 86.902 (17) | P3—Rh2—Cl2 | 87.484 (16) |
P2—Rh1—Cl1 | 89.601 (17) | P4—Rh2—Cl2 | 90.188 (17) |
C7—P1—C13 | 108.94 (9) | C43—P3—C49 | 108.29 (9) |
C7—P1—C1 | 105.58 (9) | C43—P3—C37 | 104.92 (8) |
C13—P1—C1 | 100.66 (9) | C49—P3—C37 | 100.76 (9) |
C7—P1—Rh1 | 107.82 (6) | C43—P3—Rh2 | 108.83 (6) |
C13—P1—Rh1 | 118.90 (7) | C49—P3—Rh2 | 119.48 (6) |
C1—P1—Rh1 | 114.07 (6) | C37—P3—Rh2 | 113.44 (6) |
C31—P2—C25 | 104.79 (9) | C61—P4—C67 | 105.29 (8) |
C31—P2—C19 | 103.90 (9) | C61—P4—C55 | 103.95 (8) |
C25—P2—C19 | 102.91 (9) | C67—P4—C55 | 102.17 (9) |
C31—P2—Rh1 | 113.73 (6) | C61—P4—Rh2 | 114.93 (6) |
C25—P2—Rh1 | 112.86 (6) | C67—P4—Rh2 | 112.48 (6) |
C19—P2—Rh1 | 117.26 (6) | C55—P4—Rh2 | 116.59 (6) |
O01—C01—Rh1 | 177.75 (18) | O02—C02—Rh2 | 177.4 (2) |
C6—C1—C2 | 118.94 (17) | C38—C37—C42 | 118.66 (17) |
C6—C1—P1 | 123.54 (15) | C38—C37—P3 | 122.53 (15) |
C2—C1—P1 | 117.04 (14) | C42—C37—P3 | 118.29 (14) |
C3—C2—C1 | 121.06 (19) | C37—C38—C39 | 120.97 (18) |
C3—C2—H2 | 119.5 | C37—C38—H38 | 119.5 |
C1—C2—H2 | 119.5 | C39—C38—H38 | 119.5 |
C4—C3—C2 | 118.14 (18) | C40—C39—C38 | 118.14 (19) |
C4—C3—H3 | 120.9 | C40—C39—H39 | 120.9 |
C2—C3—H3 | 120.9 | C38—C39—H39 | 120.9 |
F1—C4—C5 | 118.87 (19) | F7—C40—C39 | 118.96 (18) |
F1—C4—C3 | 118.26 (18) | F7—C40—C41 | 118.03 (18) |
C5—C4—C3 | 122.86 (18) | C39—C40—C41 | 123.00 (18) |
C4—C5—C6 | 118.59 (19) | C40—C41—C42 | 118.22 (18) |
C4—C5—H5 | 120.7 | C40—C41—H41 | 120.9 |
C6—C5—H5 | 120.7 | C42—C41—H41 | 120.9 |
C1—C6—C5 | 120.36 (19) | C41—C42—C37 | 121.01 (18) |
C1—C6—H6 | 119.8 | C41—C42—H42 | 119.5 |
C5—C6—H6 | 119.8 | C37—C42—H42 | 119.5 |
C8—C7—C12 | 118.83 (19) | C44—C43—C48 | 118.94 (18) |
C8—C7—P1 | 124.25 (16) | C44—C43—P3 | 124.36 (16) |
C12—C7—P1 | 116.86 (15) | C48—C43—P3 | 116.70 (14) |
C9—C8—C7 | 120.7 (2) | C45—C44—C43 | 120.3 (2) |
C9—C8—H8 | 119.7 | C45—C44—H44 | 119.8 |
C7—C8—H8 | 119.7 | C43—C44—H44 | 119.8 |
C10—C9—C8 | 118.5 (2) | C46—C45—C44 | 118.7 (2) |
C10—C9—H9 | 120.8 | C46—C45—H45 | 120.6 |
C8—C9—H9 | 120.8 | C44—C45—H45 | 120.6 |
F2—C10—C9 | 118.6 (2) | F9—C46—C45 | 118.7 (2) |
F2—C10—C11 | 118.2 (2) | F9—C46—C47 | 118.2 (2) |
C9—C10—C11 | 123.1 (2) | C45—C46—C47 | 123.1 (2) |
C10—C11—C12 | 117.8 (2) | C46—C47—C48 | 117.9 (2) |
C10—C11—H11 | 121.1 | C46—C47—H47 | 121.1 |
C12—C11—H11 | 121.1 | C48—C47—H47 | 121.1 |
C11—C12—C7 | 121.1 (2) | C47—C48—C43 | 120.98 (19) |
C11—C12—H12 | 119.4 | C47—C48—H48 | 119.5 |
C7—C12—H12 | 119.4 | C43—C48—H48 | 119.5 |
C18—C13—C14 | 118.70 (19) | C54—C49—C50 | 119.09 (18) |
C18—C13—P1 | 120.34 (15) | C54—C49—P3 | 120.85 (14) |
C14—C13—P1 | 120.36 (17) | C50—C49—P3 | 119.43 (15) |
C15—C14—C13 | 121.2 (2) | C51—C50—C49 | 120.73 (19) |
C15—C14—H14 | 119.4 | C51—C50—H50 | 119.6 |
C13—C14—H14 | 119.4 | C49—C50—H50 | 119.6 |
C16—C15—C14 | 118.2 (2) | C52—C51—C50 | 118.41 (19) |
C16—C15—H15 | 120.9 | C52—C51—H51 | 120.8 |
C14—C15—H15 | 120.9 | C50—C51—H51 | 120.8 |
F3—C16—C15 | 118.4 (2) | F8—C52—C53 | 119.3 (2) |
F3—C16—C17 | 118.7 (3) | F8—C52—C51 | 117.9 (2) |
C15—C16—C17 | 123.0 (2) | C53—C52—C51 | 122.8 (2) |
C16—C17—C18 | 118.4 (2) | C52—C53—C54 | 118.3 (2) |
C16—C17—H17 | 120.8 | C52—C53—H53 | 120.9 |
C18—C17—H17 | 120.8 | C54—C53—H53 | 120.9 |
C13—C18—C17 | 120.5 (2) | C49—C54—C53 | 120.62 (18) |
C13—C18—H18 | 119.8 | C49—C54—H54 | 119.7 |
C17—C18—H18 | 119.8 | C53—C54—H54 | 119.7 |
C20—C19—C24 | 118.67 (18) | C60—C55—C56 | 118.74 (17) |
C20—C19—P2 | 123.63 (16) | C60—C55—P4 | 123.12 (15) |
C24—C19—P2 | 117.66 (15) | C56—C55—P4 | 118.14 (14) |
C19—C20—C21 | 120.5 (2) | C57—C56—C55 | 121.19 (18) |
C19—C20—H20 | 119.8 | C57—C56—H56 | 119.4 |
C21—C20—H20 | 119.8 | C55—C56—H56 | 119.4 |
C22—C21—C20 | 118.7 (2) | C58—C57—C56 | 117.93 (19) |
C22—C21—H21 | 120.7 | C58—C57—H57 | 121 |
C20—C21—H21 | 120.7 | C56—C57—H57 | 121 |
F4—C22—C21 | 118.8 (2) | F10—C58—C59 | 119.00 (18) |
F4—C22—C23 | 118.1 (2) | F10—C58—C57 | 118.10 (19) |
C21—C22—C23 | 123.0 (2) | C59—C58—C57 | 122.90 (18) |
C22—C23—C24 | 118.1 (2) | C58—C59—C60 | 118.71 (18) |
C22—C23—H23 | 120.9 | C58—C59—H59 | 120.6 |
C24—C23—H23 | 120.9 | C60—C59—H59 | 120.6 |
C23—C24—C19 | 121.0 (2) | C55—C60—C59 | 120.53 (19) |
C23—C24—H24 | 119.5 | C55—C60—H60 | 119.7 |
C19—C24—H24 | 119.5 | C59—C60—H60 | 119.7 |
C26—C25—C30 | 118.78 (18) | C62—C61—C66 | 118.82 (17) |
C26—C25—P2 | 119.29 (15) | C62—C61—P4 | 123.06 (15) |
C30—C25—P2 | 121.89 (15) | C66—C61—P4 | 118.12 (14) |
C25—C26—C27 | 120.91 (19) | C63—C62—C61 | 120.44 (19) |
C25—C26—H26 | 119.5 | C63—C62—H62 | 119.8 |
C27—C26—H26 | 119.5 | C61—C62—H62 | 119.8 |
C28—C27—C26 | 118.7 (2) | C64—C63—C62 | 118.77 (19) |
C28—C27—H27 | 120.7 | C64—C63—H63 | 120.6 |
C26—C27—H27 | 120.7 | C62—C63—H63 | 120.6 |
F5—C28—C27 | 119.1 (2) | F11—C64—C63 | 118.84 (18) |
F5—C28—C29 | 118.62 (19) | F11—C64—C65 | 118.04 (19) |
C27—C28—C29 | 122.2 (2) | C63—C64—C65 | 123.10 (18) |
C28—C29—C30 | 118.56 (19) | C64—C65—C66 | 117.32 (19) |
C28—C29—H29 | 120.7 | C64—C65—H65 | 121.3 |
C30—C29—H29 | 120.7 | C66—C65—H65 | 121.3 |
C29—C30—C25 | 120.8 (2) | C65—C66—C61 | 121.53 (18) |
C29—C30—H30 | 119.6 | C65—C66—H66 | 119.2 |
C25—C30—H30 | 119.6 | C61—C66—H66 | 119.2 |
C36—C31—C32 | 118.98 (18) | C72—C67—C68 | 118.40 (19) |
C36—C31—P2 | 117.87 (14) | C72—C67—P4 | 119.35 (15) |
C32—C31—P2 | 123.15 (15) | C68—C67—P4 | 122.25 (15) |
C33—C32—C31 | 120.39 (19) | C69—C68—C67 | 120.7 (2) |
C33—C32—H32 | 119.8 | C69—C68—H68 | 119.6 |
C31—C32—H32 | 119.8 | C67—C68—H68 | 119.6 |
C34—C33—C32 | 118.53 (19) | C70—C69—C68 | 118.4 (2) |
C34—C33—H33 | 120.7 | C70—C69—H69 | 120.8 |
C32—C33—H33 | 120.7 | C68—C69—H69 | 120.8 |
F6—C34—C33 | 118.34 (18) | F12—C70—C71 | 118.5 (2) |
F6—C34—C35 | 118.41 (19) | F12—C70—C69 | 118.8 (2) |
C33—C34—C35 | 123.25 (19) | C71—C70—C69 | 122.7 (2) |
C34—C35—C36 | 117.67 (19) | C70—C71—C72 | 118.5 (2) |
C34—C35—H35 | 121.2 | C70—C71—H71 | 120.8 |
C36—C35—H35 | 121.2 | C72—C71—H71 | 120.8 |
C35—C36—C31 | 121.15 (18) | C71—C72—C67 | 121.3 (2) |
C35—C36—H36 | 119.4 | C71—C72—H72 | 119.3 |
C31—C36—H36 | 119.4 | C67—C72—H72 | 119.3 |
C01—Rh1—P1—C7 | 117.76 (9) | Cl2—Rh2—P3—C43 | −65.98 (7) |
Cl1—Rh1—P1—C7 | −64.98 (7) | C02—Rh2—P3—C49 | −118.08 (10) |
C01—Rh1—P1—C13 | −117.70 (10) | Cl2—Rh2—P3—C49 | 59.03 (7) |
Cl1—Rh1—P1—C13 | 59.55 (8) | C02—Rh2—P3—C37 | 0.53 (9) |
Cl1—Rh1—P1—C1 | 178.11 (7) | Cl2—Rh2—P3—C37 | 177.64 (7) |
C01—Rh1—P2—C31 | 129.96 (9) | C02—Rh2—P4—C61 | 131.90 (9) |
Cl1—Rh1—P2—C31 | −47.54 (7) | Cl2—Rh2—P4—C61 | −45.51 (7) |
C01—Rh1—P2—C25 | −110.83 (9) | C02—Rh2—P4—C67 | −107.64 (9) |
Cl1—Rh1—P2—C25 | 71.67 (7) | Cl2—Rh2—P4—C67 | 74.95 (7) |
C01—Rh1—P2—C19 | 8.51 (10) | C02—Rh2—P4—C55 | 9.90 (10) |
Cl1—Rh1—P2—C19 | −168.99 (7) | Cl2—Rh2—P4—C55 | −167.51 (7) |
C7—P1—C1—C6 | −26.67 (18) | C43—P3—C37—C38 | −32.27 (18) |
C13—P1—C1—C6 | −139.96 (17) | C49—P3—C37—C38 | −144.68 (16) |
Rh1—P1—C1—C6 | 91.53 (16) | Rh2—P3—C37—C38 | 86.39 (16) |
C7—P1—C1—C2 | 161.44 (14) | C43—P3—C37—C42 | 156.19 (14) |
C13—P1—C1—C2 | 48.15 (16) | C49—P3—C37—C42 | 43.77 (16) |
Rh1—P1—C1—C2 | −80.37 (15) | Rh2—P3—C37—C42 | −85.16 (15) |
C6—C1—C2—C3 | −2.0 (3) | C42—C37—C38—C39 | 0.7 (3) |
P1—C1—C2—C3 | 170.33 (15) | P3—C37—C38—C39 | −170.79 (15) |
C1—C2—C3—C4 | 0.5 (3) | C37—C38—C39—C40 | −0.5 (3) |
C2—C3—C4—F1 | −178.60 (17) | C38—C39—C40—F7 | −179.42 (17) |
C2—C3—C4—C5 | 1.4 (3) | C38—C39—C40—C41 | −0.3 (3) |
F1—C4—C5—C6 | 178.16 (18) | F7—C40—C41—C42 | −179.99 (16) |
C3—C4—C5—C6 | −1.9 (3) | C39—C40—C41—C42 | 0.9 (3) |
C2—C1—C6—C5 | 1.5 (3) | C40—C41—C42—C37 | −0.7 (3) |
P1—C1—C6—C5 | −170.24 (15) | C38—C37—C42—C41 | −0.1 (3) |
C4—C5—C6—C1 | 0.3 (3) | P3—C37—C42—C41 | 171.74 (14) |
C13—P1—C7—C8 | 3.3 (2) | C49—P3—C43—C44 | 6.7 (2) |
C1—P1—C7—C8 | −104.06 (18) | C37—P3—C43—C44 | −100.26 (18) |
Rh1—P1—C7—C8 | 133.65 (16) | Rh2—P3—C43—C44 | 138.02 (16) |
C13—P1—C7—C12 | −174.05 (15) | C49—P3—C43—C48 | −172.83 (14) |
C1—P1—C7—C12 | 78.57 (16) | C37—P3—C43—C48 | 80.22 (16) |
Rh1—P1—C7—C12 | −43.73 (16) | Rh2—P3—C43—C48 | −41.51 (16) |
C12—C7—C8—C9 | −1.2 (3) | C48—C43—C44—C45 | −2.2 (3) |
P1—C7—C8—C9 | −178.49 (17) | P3—C43—C44—C45 | 178.27 (17) |
C7—C8—C9—C10 | −0.2 (3) | C43—C44—C45—C46 | −0.1 (3) |
C8—C9—C10—F2 | −180.0 (2) | C44—C45—C46—F9 | −179.0 (2) |
C8—C9—C10—C11 | 0.7 (4) | C44—C45—C46—C47 | 1.8 (4) |
F2—C10—C11—C12 | −179.24 (19) | F9—C46—C47—C48 | 179.75 (19) |
C9—C10—C11—C12 | 0.1 (3) | C45—C46—C47—C48 | −1.0 (3) |
C10—C11—C12—C7 | −1.5 (3) | C46—C47—C48—C43 | −1.4 (3) |
C8—C7—C12—C11 | 2.0 (3) | C44—C43—C48—C47 | 3.0 (3) |
P1—C7—C12—C11 | 179.52 (16) | P3—C43—C48—C47 | −177.42 (16) |
C7—P1—C13—C18 | 121.80 (17) | C43—P3—C49—C54 | 122.38 (17) |
C1—P1—C13—C18 | −127.50 (17) | C37—P3—C49—C54 | −127.82 (17) |
Rh1—P1—C13—C18 | −2.2 (2) | Rh2—P3—C49—C54 | −2.88 (19) |
C7—P1—C13—C14 | −67.24 (19) | C43—P3—C49—C50 | −66.82 (18) |
C1—P1—C13—C14 | 43.46 (19) | C37—P3—C49—C50 | 42.99 (18) |
Rh1—P1—C13—C14 | 168.77 (15) | Rh2—P3—C49—C50 | 167.92 (14) |
C18—C13—C14—C15 | 1.6 (3) | C54—C49—C50—C51 | 1.8 (3) |
P1—C13—C14—C15 | −169.53 (19) | P3—C49—C50—C51 | −169.18 (17) |
C13—C14—C15—C16 | 0.4 (4) | C49—C50—C51—C52 | 0.4 (3) |
C14—C15—C16—F3 | 177.3 (2) | C50—C51—C52—F8 | 176.6 (2) |
C14—C15—C16—C17 | −1.9 (4) | C50—C51—C52—C53 | −2.5 (4) |
F3—C16—C17—C18 | −177.9 (2) | F8—C52—C53—C54 | −176.9 (2) |
C15—C16—C17—C18 | 1.3 (4) | C51—C52—C53—C54 | 2.2 (4) |
C14—C13—C18—C17 | −2.2 (3) | C50—C49—C54—C53 | −2.1 (3) |
P1—C13—C18—C17 | 168.89 (18) | P3—C49—C54—C53 | 168.75 (16) |
C16—C17—C18—C13 | 0.9 (4) | C52—C53—C54—C49 | 0.2 (3) |
C31—P2—C19—C20 | −10.92 (19) | C61—P4—C55—C60 | −8.77 (19) |
C25—P2—C19—C20 | −119.98 (17) | C67—P4—C55—C60 | −118.13 (17) |
Rh1—P2—C19—C20 | 115.52 (16) | Rh2—P4—C55—C60 | 118.82 (16) |
C31—P2—C19—C24 | 171.42 (15) | C61—P4—C55—C56 | 172.12 (15) |
C25—P2—C19—C24 | 62.37 (17) | C67—P4—C55—C56 | 62.76 (17) |
Rh1—P2—C19—C24 | −62.14 (16) | Rh2—P4—C55—C56 | −60.29 (17) |
C24—C19—C20—C21 | 0.0 (3) | C60—C55—C56—C57 | 0.1 (3) |
P2—C19—C20—C21 | −177.61 (18) | P4—C55—C56—C57 | 179.29 (16) |
C19—C20—C21—C22 | 0.5 (4) | C55—C56—C57—C58 | 0.3 (3) |
C20—C21—C22—F4 | 179.3 (2) | C56—C57—C58—F10 | 179.58 (18) |
C20—C21—C22—C23 | −0.7 (4) | C56—C57—C58—C59 | −0.2 (3) |
F4—C22—C23—C24 | −179.56 (19) | F10—C58—C59—C60 | 179.96 (19) |
C21—C22—C23—C24 | 0.5 (3) | C57—C58—C59—C60 | −0.2 (3) |
C22—C23—C24—C19 | 0.1 (3) | C56—C55—C60—C59 | −0.6 (3) |
C20—C19—C24—C23 | −0.3 (3) | P4—C55—C60—C59 | −179.72 (16) |
P2—C19—C24—C23 | 177.48 (16) | C58—C59—C60—C55 | 0.7 (3) |
C31—P2—C25—C26 | 102.85 (18) | C67—P4—C61—C62 | 14.08 (18) |
C19—P2—C25—C26 | −148.76 (18) | C55—P4—C61—C62 | −92.97 (17) |
Rh1—P2—C25—C26 | −21.42 (19) | Rh2—P4—C61—C62 | 138.41 (15) |
C31—P2—C25—C30 | −75.15 (19) | C67—P4—C61—C66 | −166.68 (15) |
C19—P2—C25—C30 | 33.24 (19) | C55—P4—C61—C66 | 86.27 (16) |
Rh1—P2—C25—C30 | 160.58 (15) | Rh2—P4—C61—C66 | −42.34 (17) |
C30—C25—C26—C27 | 1.9 (4) | C66—C61—C62—C63 | −1.0 (3) |
P2—C25—C26—C27 | −176.1 (2) | P4—C61—C62—C63 | 178.27 (16) |
C25—C26—C27—C28 | 0.5 (4) | C61—C62—C63—C64 | −0.3 (3) |
C26—C27—C28—F5 | 179.3 (2) | C62—C63—C64—F11 | −179.87 (19) |
C26—C27—C28—C29 | −2.7 (4) | C62—C63—C64—C65 | 1.4 (3) |
F5—C28—C29—C30 | −179.8 (2) | F11—C64—C65—C66 | −179.80 (18) |
C27—C28—C29—C30 | 2.2 (4) | C63—C64—C65—C66 | −1.1 (3) |
C28—C29—C30—C25 | 0.4 (4) | C64—C65—C66—C61 | −0.3 (3) |
C26—C25—C30—C29 | −2.4 (3) | C62—C61—C66—C65 | 1.3 (3) |
P2—C25—C30—C29 | 175.57 (18) | P4—C61—C66—C65 | −177.95 (16) |
C25—P2—C31—C36 | −167.45 (16) | C61—P4—C67—C72 | 98.96 (18) |
C19—P2—C31—C36 | 84.89 (17) | C55—P4—C67—C72 | −152.70 (18) |
Rh1—P2—C31—C36 | −43.74 (17) | Rh2—P4—C67—C72 | −26.91 (19) |
C25—P2—C31—C32 | 11.99 (19) | C61—P4—C67—C68 | −81.94 (18) |
C19—P2—C31—C32 | −95.68 (18) | C55—P4—C67—C68 | 26.40 (19) |
Rh1—P2—C31—C32 | 135.69 (16) | Rh2—P4—C67—C68 | 152.19 (16) |
C36—C31—C32—C33 | −1.8 (3) | C72—C67—C68—C69 | −0.6 (3) |
P2—C31—C32—C33 | 178.81 (17) | P4—C67—C68—C69 | −179.75 (18) |
C31—C32—C33—C34 | 0.3 (3) | C67—C68—C69—C70 | −0.3 (4) |
C32—C33—C34—F6 | −179.4 (2) | C68—C69—C70—F12 | 179.3 (2) |
C32—C33—C34—C35 | 1.3 (4) | C68—C69—C70—C71 | 0.6 (4) |
F6—C34—C35—C36 | 179.41 (19) | F12—C70—C71—C72 | −178.6 (2) |
C33—C34—C35—C36 | −1.3 (3) | C69—C70—C71—C72 | 0.1 (4) |
C34—C35—C36—C31 | −0.3 (3) | C70—C71—C72—C67 | −1.1 (4) |
C32—C31—C36—C35 | 1.8 (3) | C68—C67—C72—C71 | 1.3 (4) |
P2—C31—C36—C35 | −178.76 (16) | P4—C67—C72—C71 | −179.5 (2) |
C02—Rh2—P3—C43 | 116.91 (9) |
PR3 | Rh—P (Å) | Rh—Cl (Å) | Rh—C (Å) | Reference |
PPh3a | 2.313 (7) | 2.380 (11) | 1.74 (3) | i |
2.349 (7) | ||||
PPh3b | 2.322 (1) | 2.382 (1) | 1.77 (1) | ii |
PPh3a | 2.363 (2) | 2.405 (4) | 1.99 (1) | iii |
2.304 (2) | ||||
PPh3a | 2.333 (1) | 2.395 (1) | 1.821 (5) | iv |
2.327 (1) | ||||
P(4-FC6H4)3a | 2.3118 (5) | 2.3689 (5) | 1.816 (2) | TW |
2.3220 (5) | ||||
2.3136 (5) | 2.3694 (5) | 1.818 (2) | ||
2.3233 (5) | ||||
P(4-FC6H4)3a | 2.334 (2) | 2.381 (2) | 1.800 (2) | v |
2.310 (2) |
Notes: TW = this work; (a) = non-disordered; (b) = disordered; o-tol = ortho-tolyl; Mes = mesityl. References: (i) Suomalainen et al. (2001); (ii) Chahen et al. (2005); (iii) Balch et al. (1990); (iv) Kessler et al. (1993); (v) Monge et al. (1983). |
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