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The title compound, trans-[RhCl(C18F15P)2(CO)], crystallizes with one independent mol­ecule in the asymmetric unit. Important geometric parameters are Rh—P = 2.2797 (14) and 2.2993 (14) Å, Rh—Cl = 2.3642 (12) Å, Rh—C = 1.824 (4) Å, C—Rh—Cl = 174.12 (13)°, P—Rh—C = 91.73 (13) and 93.71 (13)°, P—Rh—P = 169.38 (4)° and Rh—C[triple bond]O = 176.7 (4)°. The effective cone angles (θE) for the phosphine ligands were calculated to be 172 and 173°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805017447/hg6199sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805017447/hg6199Isup2.hkl
Contains datablock I

CCDC reference: 277276

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.049
  • wR factor = 0.106
  • Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT040_ALERT_1_C No H-atoms in this Carbon Containing Compound .. ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K
Alert level G CHEMS02_ALERT_1_G Please check that you have entered the correct _publ_requested_category classification of your compound; FI or CI or EI for inorganic; FM or CM or EM for metal-organic; FO or CO or EO for organic. From the CIF: _publ_requested_category EM From the CIF: _chemical_formula_sum:C37 Cl1 F30 O1 P2 Rh1
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART-NT (Bruker, 1998); cell refinement: SAINT-Plus (Bruker, 1999); data reduction: SAINT-Plus and XPREP (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); 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).

trans-Carbonylchlorobis[tris(pentafluorophenyl)phosphine)]rhodium(I) top
Crystal data top
[RhCl(C36F30P2)(CO)]Z = 2
Mr = 1230.67F(000) = 1184
Triclinic, P1Dx = 2.066 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.232 (2) ÅCell parameters from 843 reflections
b = 12.274 (3) Åθ = 2.3–24.2°
c = 16.013 (3) ŵ = 0.76 mm1
α = 74.95 (3)°T = 293 K
β = 89.49 (3)°Needle, yellow
γ = 68.79 (3)°0.28 × 0.1 × 0.07 mm
V = 1978.6 (9) Å3
Data collection top
Bruker SMART CCD 1K area-detector
diffractometer
5904 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.030
ω scansθmax = 28.3°, θmin = 1.3°
Absorption correction: multi-scan
(SADABS; Bruker, 1998)
h = 1414
Tmin = 0.816, Tmax = 0.949k = 1216
13443 measured reflectionsl = 1821
9585 independent reflections
Refinement top
Refinement on F2649 parameters
Least-squares matrix: full0 restraints
R[F2 > 2σ(F2)] = 0.050 w = 1/[σ2(Fo2) + (0.0413P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.106(Δ/σ)max = 0.001
S = 0.98Δρmax = 0.52 e Å3
9585 reflectionsΔρmin = 0.40 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Rh0.02285 (3)0.25349 (3)0.72775 (2)0.03311 (10)
P10.15030 (9)0.45562 (9)0.70226 (7)0.0327 (2)
P20.13240 (9)0.06336 (9)0.76131 (6)0.0331 (2)
Cl0.12507 (10)0.31481 (9)0.64066 (7)0.0492 (3)
C0.1254 (4)0.2024 (4)0.8045 (3)0.0431 (10)
O0.1841 (3)0.1666 (3)0.8548 (2)0.0711 (10)
C110.2391 (3)0.5384 (3)0.5959 (2)0.0366 (9)
C120.3045 (4)0.6629 (4)0.5736 (3)0.0395 (9)
C130.3792 (4)0.7272 (4)0.4956 (3)0.0429 (10)
C140.3920 (4)0.6650 (4)0.4396 (3)0.0498 (11)
C150.3318 (4)0.5414 (4)0.4592 (3)0.0488 (11)
C160.2541 (4)0.4796 (4)0.5362 (3)0.0436 (10)
C210.2826 (3)0.4974 (3)0.7705 (2)0.0330 (9)
C220.3033 (4)0.5728 (3)0.8250 (3)0.0377 (9)
C230.4036 (4)0.5927 (4)0.8753 (3)0.0441 (10)
C240.4904 (4)0.5375 (4)0.8736 (3)0.0434 (10)
C250.4754 (4)0.4637 (4)0.8194 (3)0.0435 (10)
C260.3747 (4)0.4463 (3)0.7690 (3)0.0375 (9)
C310.0437 (3)0.5318 (3)0.7199 (2)0.0341 (9)
C320.0066 (4)0.6113 (3)0.6565 (3)0.0380 (9)
C330.0857 (4)0.6530 (3)0.6747 (3)0.0404 (10)
C340.1474 (3)0.6131 (3)0.7562 (3)0.0396 (10)
C350.1186 (4)0.5298 (4)0.8198 (3)0.0419 (10)
C360.0237 (4)0.4915 (3)0.8012 (2)0.0356 (9)
C410.1945 (3)0.0043 (3)0.6733 (2)0.0339 (9)
C420.2990 (4)0.1134 (4)0.6877 (3)0.0383 (9)
C430.3390 (4)0.1717 (4)0.6257 (3)0.0445 (10)
C440.2768 (4)0.1209 (4)0.5428 (3)0.0488 (11)
C450.1750 (4)0.0128 (4)0.5251 (3)0.0476 (11)
C460.1330 (4)0.0437 (3)0.5897 (3)0.0384 (9)
C510.0936 (3)0.0635 (3)0.8287 (2)0.0335 (9)
C520.1573 (4)0.1492 (4)0.9047 (3)0.0412 (10)
C530.1133 (4)0.2379 (4)0.9476 (3)0.0468 (11)
C540.0039 (4)0.2438 (4)0.9163 (3)0.0485 (11)
C550.0609 (4)0.1625 (4)0.8401 (3)0.0481 (11)
C560.0158 (4)0.0745 (3)0.7982 (2)0.0397 (9)
C610.2665 (4)0.0715 (3)0.8212 (3)0.0399 (10)
C620.3802 (4)0.0737 (4)0.7887 (3)0.0470 (11)
C630.4669 (4)0.1002 (4)0.8316 (4)0.0609 (14)
C640.4402 (5)0.1275 (4)0.9093 (3)0.0642 (14)
C650.3288 (5)0.1279 (4)0.9431 (3)0.0602 (13)
C660.2424 (4)0.1004 (4)0.8995 (3)0.0490 (11)
F120.2983 (2)0.7264 (2)0.62948 (15)0.0514 (6)
F130.4378 (2)0.8477 (2)0.47668 (17)0.0675 (8)
F140.4648 (3)0.7242 (2)0.36372 (17)0.0720 (8)
F150.3442 (3)0.4811 (3)0.40308 (18)0.0766 (9)
F160.1958 (3)0.3593 (2)0.55263 (17)0.0638 (7)
F220.2236 (2)0.6303 (2)0.83042 (17)0.0597 (7)
F230.4188 (2)0.6658 (3)0.92664 (18)0.0703 (8)
F240.5884 (2)0.5575 (3)0.92245 (16)0.0652 (7)
F250.5602 (2)0.4109 (2)0.81502 (18)0.0647 (7)
F260.3665 (2)0.3777 (2)0.71406 (17)0.0529 (6)
F320.0572 (2)0.6504 (2)0.57361 (15)0.0569 (7)
F330.1162 (2)0.7331 (2)0.61239 (17)0.0626 (7)
F340.2367 (2)0.6551 (2)0.77336 (17)0.0605 (7)
F350.1802 (2)0.4879 (2)0.89972 (16)0.0638 (7)
F360.0041 (2)0.4110 (2)0.86417 (14)0.0538 (6)
F420.3606 (2)0.1672 (2)0.76827 (15)0.0495 (6)
F430.4373 (2)0.2804 (2)0.64399 (18)0.0680 (8)
F440.3136 (3)0.1785 (3)0.48161 (18)0.0715 (8)
F450.1110 (3)0.0366 (2)0.44558 (16)0.0680 (8)
F460.0264 (2)0.1441 (2)0.57000 (15)0.0526 (6)
F520.2663 (2)0.1496 (2)0.93902 (15)0.0564 (7)
F530.1804 (3)0.3204 (2)1.02112 (16)0.0688 (8)
F540.0372 (3)0.3316 (2)0.95732 (17)0.0709 (8)
F550.1659 (3)0.1689 (2)0.80709 (18)0.0715 (8)
F560.0798 (2)0.0011 (2)0.72201 (15)0.0530 (6)
F620.4115 (2)0.0480 (2)0.71320 (17)0.0598 (7)
F630.5774 (3)0.0973 (3)0.7990 (2)0.0860 (10)
F640.5248 (3)0.1524 (3)0.9517 (2)0.0963 (11)
F650.3020 (3)0.1523 (3)1.0198 (2)0.0908 (10)
F660.1334 (2)0.1015 (2)0.93481 (16)0.0605 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rh0.03279 (17)0.03135 (17)0.03435 (18)0.01243 (13)0.00416 (13)0.00696 (13)
P10.0331 (5)0.0321 (5)0.0333 (6)0.0138 (4)0.0017 (4)0.0075 (4)
P20.0345 (5)0.0330 (5)0.0308 (6)0.0128 (5)0.0005 (4)0.0066 (4)
Cl0.0487 (6)0.0452 (6)0.0558 (7)0.0214 (5)0.0222 (5)0.0124 (5)
C0.037 (2)0.036 (2)0.057 (3)0.0127 (19)0.013 (2)0.016 (2)
O0.069 (2)0.060 (2)0.084 (3)0.0302 (19)0.038 (2)0.0130 (19)
C110.035 (2)0.041 (2)0.033 (2)0.0150 (19)0.0006 (17)0.0070 (18)
C120.037 (2)0.045 (2)0.039 (2)0.017 (2)0.0010 (18)0.012 (2)
C130.039 (2)0.038 (2)0.044 (3)0.010 (2)0.0007 (19)0.004 (2)
C140.043 (3)0.068 (3)0.032 (2)0.020 (2)0.0012 (19)0.003 (2)
C150.051 (3)0.055 (3)0.040 (3)0.019 (2)0.005 (2)0.014 (2)
C160.043 (2)0.044 (3)0.044 (3)0.015 (2)0.004 (2)0.013 (2)
C210.031 (2)0.033 (2)0.032 (2)0.0116 (17)0.0007 (16)0.0034 (17)
C220.035 (2)0.043 (2)0.038 (2)0.0172 (19)0.0041 (18)0.0117 (19)
C230.042 (2)0.048 (3)0.040 (3)0.010 (2)0.0022 (19)0.018 (2)
C240.030 (2)0.054 (3)0.036 (2)0.008 (2)0.0040 (18)0.006 (2)
C250.028 (2)0.048 (3)0.051 (3)0.0152 (19)0.0001 (19)0.006 (2)
C260.038 (2)0.035 (2)0.039 (2)0.0136 (19)0.0001 (18)0.0085 (18)
C310.036 (2)0.035 (2)0.033 (2)0.0166 (18)0.0041 (17)0.0068 (17)
C320.039 (2)0.041 (2)0.034 (2)0.0184 (19)0.0019 (18)0.0052 (18)
C330.040 (2)0.038 (2)0.043 (3)0.0197 (19)0.0041 (19)0.0041 (19)
C340.030 (2)0.041 (2)0.052 (3)0.0183 (18)0.0015 (19)0.014 (2)
C350.037 (2)0.053 (3)0.036 (2)0.017 (2)0.0040 (18)0.012 (2)
C360.041 (2)0.038 (2)0.029 (2)0.0184 (19)0.0040 (17)0.0047 (17)
C410.035 (2)0.034 (2)0.033 (2)0.0140 (18)0.0024 (17)0.0080 (17)
C420.038 (2)0.041 (2)0.035 (2)0.0154 (19)0.0068 (18)0.0079 (19)
C430.036 (2)0.041 (2)0.057 (3)0.013 (2)0.010 (2)0.017 (2)
C440.049 (3)0.061 (3)0.053 (3)0.026 (2)0.020 (2)0.034 (2)
C450.053 (3)0.061 (3)0.036 (3)0.027 (2)0.005 (2)0.017 (2)
C460.033 (2)0.038 (2)0.041 (2)0.0108 (19)0.0011 (18)0.0094 (19)
C510.041 (2)0.031 (2)0.029 (2)0.0146 (18)0.0043 (17)0.0075 (16)
C520.043 (2)0.040 (2)0.035 (2)0.011 (2)0.0010 (19)0.0069 (19)
C530.062 (3)0.047 (3)0.028 (2)0.020 (2)0.003 (2)0.0034 (19)
C540.068 (3)0.043 (3)0.043 (3)0.031 (2)0.017 (2)0.011 (2)
C550.058 (3)0.048 (3)0.045 (3)0.028 (2)0.005 (2)0.013 (2)
C560.049 (2)0.040 (2)0.029 (2)0.019 (2)0.0003 (19)0.0060 (18)
C610.043 (2)0.035 (2)0.037 (2)0.0150 (19)0.0065 (19)0.0034 (18)
C620.047 (3)0.048 (3)0.044 (3)0.020 (2)0.004 (2)0.005 (2)
C630.046 (3)0.061 (3)0.071 (4)0.028 (2)0.016 (3)0.001 (3)
C640.075 (4)0.063 (3)0.056 (3)0.036 (3)0.029 (3)0.001 (3)
C650.071 (3)0.055 (3)0.052 (3)0.019 (3)0.018 (3)0.015 (2)
C660.057 (3)0.044 (3)0.041 (3)0.015 (2)0.007 (2)0.010 (2)
F120.0607 (15)0.0394 (13)0.0509 (15)0.0132 (12)0.0030 (12)0.0146 (12)
F130.0694 (18)0.0418 (15)0.0690 (19)0.0076 (14)0.0134 (15)0.0035 (13)
F140.0728 (18)0.0792 (19)0.0487 (17)0.0237 (16)0.0232 (14)0.0018 (14)
F150.091 (2)0.081 (2)0.0559 (18)0.0222 (17)0.0198 (16)0.0300 (15)
F160.0797 (19)0.0446 (15)0.0614 (18)0.0097 (14)0.0158 (14)0.0235 (13)
F220.0585 (15)0.0654 (17)0.081 (2)0.0380 (14)0.0223 (14)0.0429 (15)
F230.0673 (18)0.089 (2)0.0705 (19)0.0271 (16)0.0205 (15)0.0519 (17)
F240.0380 (14)0.102 (2)0.0507 (16)0.0214 (14)0.0122 (12)0.0202 (15)
F250.0438 (14)0.0751 (18)0.087 (2)0.0354 (14)0.0138 (14)0.0227 (15)
F260.0433 (14)0.0569 (15)0.0729 (18)0.0242 (12)0.0063 (12)0.0335 (14)
F320.0641 (16)0.0762 (17)0.0348 (14)0.0446 (14)0.0059 (12)0.0046 (12)
F330.0635 (16)0.0607 (17)0.0653 (18)0.0415 (14)0.0038 (13)0.0070 (13)
F340.0530 (15)0.0640 (17)0.0729 (19)0.0357 (14)0.0085 (13)0.0122 (14)
F350.0627 (16)0.0847 (19)0.0454 (16)0.0378 (15)0.0146 (13)0.0046 (14)
F360.0633 (16)0.0657 (16)0.0350 (14)0.0383 (14)0.0009 (11)0.0028 (12)
F420.0463 (14)0.0458 (14)0.0429 (14)0.0062 (11)0.0046 (11)0.0051 (11)
F430.0548 (16)0.0579 (17)0.079 (2)0.0032 (14)0.0151 (14)0.0251 (15)
F440.0714 (18)0.091 (2)0.0680 (19)0.0272 (16)0.0231 (15)0.0523 (17)
F450.0783 (19)0.086 (2)0.0368 (15)0.0238 (16)0.0058 (13)0.0219 (14)
F460.0532 (15)0.0487 (15)0.0419 (14)0.0037 (12)0.0094 (12)0.0108 (11)
F520.0541 (15)0.0586 (16)0.0478 (15)0.0217 (13)0.0128 (12)0.0016 (12)
F530.089 (2)0.0595 (17)0.0429 (16)0.0281 (15)0.0049 (14)0.0111 (13)
F540.100 (2)0.0643 (18)0.0590 (18)0.0528 (17)0.0157 (15)0.0025 (14)
F550.0791 (19)0.082 (2)0.074 (2)0.0598 (17)0.0031 (15)0.0107 (15)
F560.0636 (16)0.0513 (15)0.0438 (15)0.0284 (13)0.0132 (12)0.0021 (12)
F620.0533 (15)0.0805 (19)0.0554 (17)0.0375 (14)0.0097 (13)0.0172 (14)
F630.0571 (18)0.109 (2)0.094 (2)0.0497 (18)0.0079 (17)0.0039 (19)
F640.097 (2)0.103 (2)0.100 (3)0.058 (2)0.044 (2)0.0150 (19)
F650.104 (2)0.108 (2)0.071 (2)0.036 (2)0.0161 (18)0.0475 (19)
F660.0620 (17)0.0765 (19)0.0485 (16)0.0240 (15)0.0066 (13)0.0285 (14)
Geometric parameters (Å, º) top
Rh—C1.824 (4)C34—F341.341 (4)
Rh—P22.2797 (14)C34—C351.371 (5)
Rh—P12.2993 (14)C35—F351.341 (4)
Rh—Cl2.3642 (12)C35—C361.374 (5)
P1—C111.823 (4)C36—F361.337 (4)
P1—C311.828 (4)C41—C461.388 (5)
P1—C211.838 (4)C41—C421.390 (5)
P2—C411.826 (4)C42—F421.350 (4)
P2—C611.839 (4)C42—C431.352 (6)
P2—C511.841 (4)C43—F431.350 (4)
C—O1.137 (5)C43—C441.383 (6)
C11—C121.382 (5)C44—F441.331 (5)
C11—C161.383 (5)C44—C451.364 (6)
C12—F121.347 (4)C45—F451.345 (5)
C12—C131.384 (5)C45—C461.379 (6)
C13—F131.334 (4)C46—F461.338 (4)
C13—C141.357 (6)C51—C521.381 (5)
C14—F141.343 (5)C51—C561.390 (5)
C14—C151.368 (6)C52—F521.344 (4)
C15—F151.340 (5)C52—C531.377 (5)
C15—C161.383 (6)C53—F531.350 (4)
C16—F161.335 (4)C53—C541.364 (6)
C21—C221.389 (5)C54—F541.340 (4)
C21—C261.393 (5)C54—C551.368 (6)
C22—F221.341 (4)C55—F551.332 (4)
C22—C231.366 (5)C55—C561.375 (5)
C23—F231.334 (5)C56—F561.346 (4)
C23—C241.378 (6)C61—C621.381 (6)
C24—F241.330 (4)C61—C661.388 (6)
C24—C251.378 (6)C62—F621.340 (5)
C25—F251.343 (4)C62—C631.374 (6)
C25—C261.369 (5)C63—F631.334 (5)
C26—F261.349 (4)C63—C641.374 (7)
C31—C361.388 (5)C64—F641.337 (5)
C31—C321.389 (5)C64—C651.358 (7)
C32—F321.341 (4)C65—F651.344 (6)
C32—C331.376 (5)C65—C661.385 (6)
C33—F331.345 (4)C66—F661.341 (5)
C33—C341.364 (5)
C—Rh—P291.73 (13)F34—C34—C33119.7 (4)
C—Rh—P193.71 (13)F34—C34—C35120.4 (4)
P2—Rh—P1169.38 (4)C33—C34—C35119.9 (3)
C—Rh—Cl174.12 (13)F35—C35—C34120.6 (3)
P2—Rh—Cl85.75 (5)F35—C35—C36120.1 (3)
P1—Rh—Cl87.96 (5)C34—C35—C36119.2 (3)
C11—P1—C31107.11 (17)F36—C36—C35118.5 (3)
C11—P1—C2198.83 (17)F36—C36—C31118.6 (3)
C31—P1—C21106.63 (17)C35—C36—C31122.8 (3)
C11—P1—Rh119.18 (14)C46—C41—C42115.8 (4)
C31—P1—Rh105.96 (12)C46—C41—P2122.0 (3)
C21—P1—Rh118.18 (12)C42—C41—P2121.9 (3)
C41—P2—C61108.54 (18)F42—C42—C43117.9 (4)
C41—P2—C5197.59 (17)F42—C42—C41118.9 (3)
C61—P2—C51107.00 (17)C43—C42—C41123.2 (4)
C41—P2—Rh118.76 (13)F43—C43—C42121.0 (4)
C61—P2—Rh106.01 (13)F43—C43—C44119.3 (4)
C51—P2—Rh118.21 (13)C42—C43—C44119.7 (4)
O—C—Rh176.7 (4)F44—C44—C45120.4 (4)
C12—C11—C16116.2 (4)F44—C44—C43120.3 (4)
C12—C11—P1121.5 (3)C45—C44—C43119.2 (4)
C16—C11—P1122.1 (3)F45—C45—C44120.2 (4)
F12—C12—C11119.9 (3)F45—C45—C46119.4 (4)
F12—C12—C13117.3 (4)C44—C45—C46120.4 (4)
C11—C12—C13122.8 (4)F46—C46—C45117.3 (4)
F13—C13—C14121.2 (4)F46—C46—C41120.8 (4)
F13—C13—C12120.1 (4)C45—C46—C41121.7 (4)
C14—C13—C12118.7 (4)C52—C51—C56115.4 (3)
F14—C14—C13120.3 (4)C52—C51—P2129.5 (3)
F14—C14—C15118.7 (4)C56—C51—P2115.0 (3)
C13—C14—C15121.0 (4)F52—C52—C53117.5 (3)
F15—C15—C14120.5 (4)F52—C52—C51120.7 (3)
F15—C15—C16120.2 (4)C53—C52—C51121.8 (4)
C14—C15—C16119.3 (4)F53—C53—C54119.9 (4)
F16—C16—C15117.6 (4)F53—C53—C52119.3 (4)
F16—C16—C11120.4 (4)C54—C53—C52120.8 (4)
C15—C16—C11122.0 (4)F54—C54—C53120.6 (4)
C22—C21—C26114.7 (4)F54—C54—C55119.8 (4)
C22—C21—P1128.7 (3)C53—C54—C55119.6 (4)
C26—C21—P1116.5 (3)F55—C55—C54120.5 (4)
F22—C22—C23116.5 (4)F55—C55—C56120.6 (4)
F22—C22—C21120.6 (3)C54—C55—C56118.9 (4)
C23—C22—C21122.9 (4)F56—C56—C55117.0 (3)
F23—C23—C22120.5 (4)F56—C56—C51119.4 (3)
F23—C23—C24119.2 (4)C55—C56—C51123.5 (4)
C22—C23—C24120.4 (4)C62—C61—C66116.4 (4)
F24—C24—C25120.9 (4)C62—C61—P2125.8 (3)
F24—C24—C23120.2 (4)C66—C61—P2116.7 (3)
C25—C24—C23118.9 (4)F62—C62—C63116.7 (4)
F25—C25—C26120.3 (4)F62—C62—C61120.8 (4)
F25—C25—C24120.1 (4)C63—C62—C61122.5 (5)
C26—C25—C24119.5 (4)F63—C63—C62120.4 (5)
F26—C26—C25117.7 (3)F63—C63—C64120.2 (4)
F26—C26—C21118.8 (4)C62—C63—C64119.5 (5)
C25—C26—C21123.5 (4)F64—C64—C65120.3 (5)
C36—C31—C32115.8 (3)F64—C64—C63119.7 (5)
C36—C31—P1116.9 (3)C65—C64—C63120.0 (4)
C32—C31—P1126.3 (3)F65—C65—C64120.8 (4)
F32—C32—C33116.0 (3)F65—C65—C66119.1 (5)
F32—C32—C31122.1 (3)C64—C65—C66120.0 (5)
C33—C32—C31121.9 (4)F66—C66—C65118.4 (4)
F33—C33—C34119.5 (3)F66—C66—C61119.9 (4)
F33—C33—C32120.3 (4)C65—C66—C61121.7 (5)
C34—C33—C32120.2 (4)
C—Rh—P1—C11111.59 (19)C—Rh—P2—C41127.88 (19)
C—Rh—P1—C218.32 (19)C—Rh—P2—C5110.14 (19)
C—Rh—P1—C31127.72 (18)C—Rh—P2—C61109.79 (19)
Comparative geometrical data for trans-[MCl(CO)L2] (M is Rh or Ir and L is phosphine) complexes top
MLM—PP—M—PQTQEtypenote
RhP(C6F5)32.2798 (14)169.38 (4)1731721(a)
2.2996 (14)173173
IrP(C6F5)32.294169.81731731(b)
2.283172172
RhP(2,6-F2C6H3)2Ph2.3100 (13)180.01621612(c), (3)
166165
IrP(2,6-F2C6H3)2Ph2.3045 (13)180.01581572(c), (3)
159158
IrP(2,6-F2C6H3)32.3025 (12)180.01711702(c)
(1) No disorder in Cl—M—CO. (2) Statistical disorder (50%) in Cl—M—CO. (3) Disorder of the Ph and 2,6-F2C6H4 substituents yields two cone angle values. (a) This work. (b) Selke et al., 1995). (c) Corcoran et al., 2000).
 

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