In the title structure, [CoRu(C
10H
20)Cl(C
17H
14P)
2]PF
6·0.5CH
2Cl
2, the Ru atom is coordinated by a pentamethylcyclopentadienyl ring, one Cl atom and two P atoms of the chelating 1,1′-bis(diphenylphosphino)cobaltocenium ligand, giving a three-legged piano-stool geometry. The solvent molecule lies on a twofold rotation axis. In the crystal structure, weak C—H
F and C—H
Cl hydrogen bonds link molecules into a two-dimensional framework.
Supporting information
CCDC reference: 601207
Key indicators
- Single-crystal X-ray study
- T = 292 K
- Mean (C-C) = 0.006 Å
- R factor = 0.049
- wR factor = 0.144
- Data-to-parameter ratio = 18.1
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio
PLAT231_ALERT_4_C Hirshfeld Test (Solvent) P3 - F5 .. 5.82 su
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P3
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.63
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C1
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 46.00 A 3
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
8 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
2 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
3 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL.
[1,1'-Bis(diphenylphosphino)cobaltocenium-
κ2P,
P']chloro(
η5–
pentamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate dichloromethane
hemisolvate
top
Crystal data top
[CoRu(C10H20)Cl(C17H14P)2]PF6·0.5CH2Cl2 | F(000) = 4120 |
Mr = 1016.61 | Dx = 1.552 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 9389 reflections |
a = 22.0859 (16) Å | θ = 2.3–27.8° |
b = 19.8170 (16) Å | µ = 1.02 mm−1 |
c = 20.7479 (16) Å | T = 292 K |
β = 106.629 (2)° | Block, brown |
V = 8701.1 (12) Å3 | 0.40 × 0.30 × 0.30 mm |
Z = 8 | |
Data collection top
Bruker SMART-CCD area-detector diffractometer | 7551 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.068 |
Graphite monochromator | θmax = 27.0°, θmin = 1.6° |
φ and ω scans | h = −28→28 |
28478 measured reflections | k = −23→25 |
9465 independent reflections | l = −24→26 |
Refinement top
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)] = 0.049 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.144 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0877P)2] where P = (Fo2 + 2Fc2)/3 |
9465 reflections | (Δ/σ)max = 0.002 |
524 parameters | Δρmax = 1.21 e Å−3 |
0 restraints | Δρmin = −0.82 e Å−3 |
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. |
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
C1 | 0.7722 (2) | 0.4261 (2) | 0.7050 (2) | 0.0571 (11) | |
H1A | 0.7515 | 0.4684 | 0.7070 | 0.086* | |
H1B | 0.7410 | 0.3912 | 0.6908 | 0.086* | |
H1C | 0.7965 | 0.4296 | 0.6735 | 0.086* | |
C2 | 0.8113 (2) | 0.2773 (2) | 0.7596 (2) | 0.0636 (13) | |
H2A | 0.7716 | 0.2846 | 0.7264 | 0.095* | |
H2B | 0.8063 | 0.2439 | 0.7912 | 0.095* | |
H2C | 0.8419 | 0.2618 | 0.7381 | 0.095* | |
C3 | 0.9243 (2) | 0.2885 (2) | 0.8913 (3) | 0.0642 (13) | |
H3A | 0.9523 | 0.3035 | 0.9333 | 0.096* | |
H3B | 0.9486 | 0.2700 | 0.8638 | 0.096* | |
H3C | 0.8964 | 0.2546 | 0.8995 | 0.096* | |
C4 | 0.95359 (19) | 0.4463 (3) | 0.9214 (2) | 0.0633 (13) | |
H4A | 0.9697 | 0.4148 | 0.9573 | 0.095* | |
H4B | 0.9411 | 0.4870 | 0.9391 | 0.095* | |
H4C | 0.9858 | 0.4565 | 0.9001 | 0.095* | |
C5 | 0.8562 (2) | 0.5303 (2) | 0.8115 (2) | 0.0563 (11) | |
H5A | 0.8938 | 0.5408 | 0.7992 | 0.085* | |
H5B | 0.8571 | 0.5531 | 0.8526 | 0.085* | |
H5C | 0.8198 | 0.5447 | 0.7764 | 0.085* | |
C6 | 0.81530 (19) | 0.4092 (2) | 0.77371 (19) | 0.0412 (9) | |
C7 | 0.83359 (19) | 0.34199 (19) | 0.7959 (2) | 0.0433 (9) | |
C8 | 0.88609 (18) | 0.3474 (2) | 0.8555 (2) | 0.0441 (9) | |
C9 | 0.89776 (17) | 0.4163 (2) | 0.8709 (2) | 0.0426 (9) | |
C10 | 0.85268 (17) | 0.45520 (18) | 0.82132 (19) | 0.0395 (8) | |
C11 | 0.87050 (17) | 0.4284 (2) | 1.04476 (18) | 0.0412 (9) | |
C12 | 0.90636 (19) | 0.3716 (2) | 1.0415 (2) | 0.0504 (10) | |
H12 | 0.8975 | 0.3471 | 1.0017 | 0.061* | |
C13 | 0.9550 (2) | 0.3505 (3) | 1.0962 (2) | 0.0643 (12) | |
H13 | 0.9783 | 0.3121 | 1.0932 | 0.077* | |
C14 | 0.9686 (2) | 0.3876 (3) | 1.1559 (2) | 0.0720 (15) | |
H14 | 1.0016 | 0.3744 | 1.1928 | 0.086* | |
C15 | 0.9337 (2) | 0.4428 (3) | 1.1600 (2) | 0.0670 (14) | |
H15 | 0.9430 | 0.4672 | 1.1999 | 0.080* | |
C16 | 0.8841 (2) | 0.4638 (2) | 1.1052 (2) | 0.0567 (11) | |
H16 | 0.8602 | 0.5013 | 1.1091 | 0.068* | |
C17 | 0.81034 (18) | 0.54429 (18) | 0.96869 (18) | 0.0387 (8) | |
C18 | 0.8670 (2) | 0.5783 (2) | 0.9945 (2) | 0.0538 (11) | |
H18 | 0.9037 | 0.5543 | 1.0145 | 0.065* | |
C19 | 0.8688 (2) | 0.6480 (2) | 0.9904 (3) | 0.0710 (14) | |
H19 | 0.9068 | 0.6705 | 1.0084 | 0.085* | |
C20 | 0.8159 (3) | 0.6837 (2) | 0.9606 (3) | 0.0731 (15) | |
H20 | 0.8180 | 0.7305 | 0.9578 | 0.088* | |
C21 | 0.7597 (2) | 0.6514 (2) | 0.9347 (2) | 0.0603 (12) | |
H21 | 0.7234 | 0.6761 | 0.9147 | 0.072* | |
C22 | 0.7565 (2) | 0.5818 (2) | 0.93815 (19) | 0.0442 (9) | |
H22 | 0.7181 | 0.5600 | 0.9199 | 0.053* | |
C23 | 0.74446 (16) | 0.44274 (17) | 1.01726 (17) | 0.0351 (8) | |
C24 | 0.73746 (18) | 0.38087 (19) | 1.05133 (19) | 0.0418 (9) | |
H24 | 0.7608 | 0.3389 | 1.0509 | 0.050* | |
C25 | 0.6906 (2) | 0.3911 (2) | 1.0848 (2) | 0.0496 (10) | |
H25 | 0.6759 | 0.3571 | 1.1112 | 0.060* | |
C26 | 0.6679 (2) | 0.4571 (2) | 1.0730 (2) | 0.0507 (10) | |
H26 | 0.6348 | 0.4773 | 1.0896 | 0.061* | |
C27 | 0.70113 (18) | 0.48984 (19) | 1.03214 (19) | 0.0428 (9) | |
H27 | 0.6943 | 0.5363 | 1.0156 | 0.051* | |
C28 | 0.63710 (16) | 0.38478 (17) | 0.88463 (17) | 0.0333 (7) | |
C29 | 0.59421 (17) | 0.4340 (2) | 0.89517 (19) | 0.0430 (9) | |
H29 | 0.5893 | 0.4798 | 0.8765 | 0.052* | |
C30 | 0.55975 (19) | 0.4066 (2) | 0.9369 (2) | 0.0538 (11) | |
H30 | 0.5272 | 0.4299 | 0.9521 | 0.065* | |
C31 | 0.58153 (19) | 0.3403 (2) | 0.9541 (2) | 0.0523 (10) | |
H31 | 0.5667 | 0.3096 | 0.9833 | 0.063* | |
C32 | 0.62962 (18) | 0.32604 (19) | 0.92268 (18) | 0.0422 (9) | |
H32 | 0.6533 | 0.2837 | 0.9261 | 0.051* | |
C33 | 0.65904 (17) | 0.32505 (19) | 0.77038 (18) | 0.0399 (8) | |
C34 | 0.6348 (2) | 0.3357 (2) | 0.7021 (2) | 0.0521 (10) | |
H34 | 0.6311 | 0.3793 | 0.6849 | 0.063* | |
C35 | 0.6156 (3) | 0.2799 (3) | 0.6584 (2) | 0.0738 (15) | |
H35 | 0.5996 | 0.2872 | 0.6124 | 0.089* | |
C36 | 0.6200 (3) | 0.2166 (3) | 0.6824 (3) | 0.0709 (14) | |
H36 | 0.6064 | 0.1805 | 0.6532 | 0.085* | |
C37 | 0.6449 (2) | 0.2051 (2) | 0.7509 (3) | 0.0635 (13) | |
H37 | 0.6489 | 0.1614 | 0.7678 | 0.076* | |
C38 | 0.6639 (2) | 0.2598 (2) | 0.7942 (2) | 0.0496 (10) | |
H38 | 0.6801 | 0.2520 | 0.8401 | 0.059* | |
C39 | 0.65399 (16) | 0.47018 (18) | 0.78400 (17) | 0.0362 (8) | |
C40 | 0.69141 (18) | 0.52656 (19) | 0.78776 (19) | 0.0419 (9) | |
H40 | 0.7339 | 0.5243 | 0.8120 | 0.050* | |
C41 | 0.6675 (2) | 0.5862 (2) | 0.7565 (2) | 0.0556 (11) | |
H41 | 0.6935 | 0.6239 | 0.7605 | 0.067* | |
C42 | 0.6048 (2) | 0.5896 (2) | 0.7193 (2) | 0.0619 (13) | |
H42 | 0.5884 | 0.6293 | 0.6972 | 0.074* | |
C43 | 0.5664 (2) | 0.5332 (2) | 0.7151 (2) | 0.0590 (12) | |
H43 | 0.5241 | 0.5355 | 0.6901 | 0.071* | |
C44 | 0.59003 (18) | 0.4744 (2) | 0.74713 (19) | 0.0493 (10) | |
H44 | 0.5637 | 0.4372 | 0.7445 | 0.059* | |
C45 | 0.5000 | 0.8038 (10) | 0.7500 | 0.248 (11) | |
H45A | 0.4769 | 0.7757 | 0.7731 | 0.298* | 0.50 |
H45B | 0.5231 | 0.7757 | 0.7269 | 0.298* | 0.50 |
Cl1 | 0.78645 (4) | 0.28894 (4) | 0.93425 (5) | 0.0409 (2) | |
Cl2 | 0.5520 (2) | 0.8654 (3) | 0.8072 (3) | 0.314 (3) | |
Co1 | 0.65440 (2) | 0.40678 (2) | 0.98453 (3) | 0.03609 (14) | |
F1 | 0.5888 (2) | 0.5910 (2) | 0.9061 (2) | 0.1431 (18) | |
F2 | 0.63084 (19) | 0.6539 (3) | 0.9887 (4) | 0.207 (3) | |
F3 | 0.5625 (3) | 0.5862 (3) | 0.9981 (4) | 0.232 (4) | |
F4 | 0.53906 (16) | 0.69528 (19) | 0.99310 (19) | 0.1082 (12) | |
F5 | 0.4938 (3) | 0.6264 (4) | 0.9183 (4) | 0.243 (4) | |
F6 | 0.5594 (5) | 0.6929 (4) | 0.8979 (4) | 0.317 (6) | |
P1 | 0.80407 (4) | 0.45218 (4) | 0.97122 (4) | 0.0319 (2) | |
P2 | 0.69018 (4) | 0.39458 (4) | 0.83042 (4) | 0.0299 (2) | |
P3 | 0.56308 (6) | 0.64186 (6) | 0.94953 (7) | 0.0587 (3) | |
Ru1 | 0.798633 (12) | 0.391664 (13) | 0.873872 (13) | 0.02802 (10) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
C1 | 0.062 (3) | 0.070 (3) | 0.040 (2) | 0.003 (2) | 0.015 (2) | 0.012 (2) |
C2 | 0.078 (3) | 0.047 (3) | 0.076 (3) | −0.004 (2) | 0.039 (3) | −0.020 (2) |
C3 | 0.059 (3) | 0.061 (3) | 0.079 (3) | 0.028 (2) | 0.031 (3) | 0.018 (2) |
C4 | 0.036 (2) | 0.082 (3) | 0.073 (3) | −0.013 (2) | 0.015 (2) | 0.000 (3) |
C5 | 0.060 (3) | 0.038 (2) | 0.080 (3) | −0.008 (2) | 0.033 (2) | 0.010 (2) |
C6 | 0.044 (2) | 0.044 (2) | 0.040 (2) | −0.0001 (17) | 0.0194 (17) | 0.0047 (16) |
C7 | 0.049 (2) | 0.040 (2) | 0.048 (2) | 0.0040 (17) | 0.0263 (19) | 0.0020 (16) |
C8 | 0.040 (2) | 0.044 (2) | 0.055 (2) | 0.0109 (17) | 0.0258 (19) | 0.0089 (17) |
C9 | 0.0310 (19) | 0.053 (2) | 0.049 (2) | 0.0013 (17) | 0.0191 (17) | 0.0029 (18) |
C10 | 0.038 (2) | 0.038 (2) | 0.046 (2) | −0.0006 (16) | 0.0184 (17) | 0.0085 (16) |
C11 | 0.0330 (19) | 0.055 (2) | 0.0326 (19) | 0.0000 (17) | 0.0051 (15) | 0.0049 (16) |
C12 | 0.044 (2) | 0.052 (2) | 0.049 (2) | 0.0036 (19) | 0.0032 (19) | 0.0036 (19) |
C13 | 0.050 (3) | 0.064 (3) | 0.066 (3) | 0.009 (2) | −0.003 (2) | 0.012 (2) |
C14 | 0.048 (3) | 0.111 (5) | 0.044 (3) | −0.001 (3) | −0.007 (2) | 0.017 (3) |
C15 | 0.063 (3) | 0.099 (4) | 0.032 (2) | −0.009 (3) | 0.003 (2) | −0.005 (2) |
C16 | 0.050 (3) | 0.076 (3) | 0.039 (2) | 0.004 (2) | 0.0059 (19) | −0.006 (2) |
C17 | 0.044 (2) | 0.0308 (18) | 0.044 (2) | −0.0069 (16) | 0.0156 (17) | −0.0035 (15) |
C18 | 0.043 (2) | 0.047 (2) | 0.068 (3) | −0.0091 (19) | 0.012 (2) | −0.004 (2) |
C19 | 0.061 (3) | 0.048 (3) | 0.104 (4) | −0.026 (2) | 0.022 (3) | −0.017 (3) |
C20 | 0.100 (4) | 0.030 (2) | 0.101 (4) | −0.014 (3) | 0.046 (3) | −0.008 (2) |
C21 | 0.070 (3) | 0.040 (2) | 0.074 (3) | 0.006 (2) | 0.026 (3) | 0.003 (2) |
C22 | 0.048 (2) | 0.040 (2) | 0.046 (2) | −0.0043 (18) | 0.0149 (18) | 0.0020 (17) |
C23 | 0.0358 (19) | 0.0337 (19) | 0.0352 (18) | −0.0013 (15) | 0.0092 (15) | −0.0007 (14) |
C24 | 0.045 (2) | 0.042 (2) | 0.038 (2) | 0.0019 (17) | 0.0105 (17) | 0.0091 (16) |
C25 | 0.060 (3) | 0.055 (3) | 0.039 (2) | −0.008 (2) | 0.020 (2) | 0.0008 (17) |
C26 | 0.056 (3) | 0.055 (3) | 0.049 (2) | −0.002 (2) | 0.028 (2) | −0.0092 (19) |
C27 | 0.050 (2) | 0.037 (2) | 0.046 (2) | −0.0020 (17) | 0.0211 (18) | −0.0061 (16) |
C28 | 0.0279 (18) | 0.0336 (18) | 0.0371 (19) | −0.0024 (14) | 0.0074 (15) | 0.0022 (14) |
C29 | 0.0325 (19) | 0.047 (2) | 0.047 (2) | 0.0073 (17) | 0.0079 (17) | 0.0047 (17) |
C30 | 0.032 (2) | 0.071 (3) | 0.062 (3) | 0.0009 (19) | 0.018 (2) | −0.002 (2) |
C31 | 0.045 (2) | 0.059 (3) | 0.057 (3) | −0.019 (2) | 0.022 (2) | −0.003 (2) |
C32 | 0.045 (2) | 0.0322 (19) | 0.051 (2) | −0.0098 (16) | 0.0170 (18) | −0.0024 (16) |
C33 | 0.038 (2) | 0.038 (2) | 0.042 (2) | −0.0079 (16) | 0.0102 (16) | −0.0067 (15) |
C34 | 0.056 (3) | 0.052 (2) | 0.044 (2) | −0.005 (2) | 0.0059 (19) | −0.0017 (18) |
C35 | 0.084 (4) | 0.091 (4) | 0.041 (3) | −0.008 (3) | 0.010 (2) | −0.020 (3) |
C36 | 0.077 (4) | 0.061 (3) | 0.070 (3) | −0.017 (3) | 0.014 (3) | −0.029 (3) |
C37 | 0.077 (3) | 0.040 (2) | 0.077 (3) | −0.015 (2) | 0.028 (3) | −0.017 (2) |
C38 | 0.060 (3) | 0.039 (2) | 0.049 (2) | −0.0009 (19) | 0.014 (2) | −0.0059 (17) |
C39 | 0.0342 (19) | 0.0353 (19) | 0.0366 (18) | 0.0058 (15) | 0.0064 (15) | 0.0080 (14) |
C40 | 0.036 (2) | 0.043 (2) | 0.043 (2) | 0.0014 (16) | 0.0055 (16) | 0.0097 (16) |
C41 | 0.063 (3) | 0.035 (2) | 0.066 (3) | 0.005 (2) | 0.013 (2) | 0.0168 (19) |
C42 | 0.069 (3) | 0.048 (3) | 0.064 (3) | 0.017 (2) | 0.012 (3) | 0.026 (2) |
C43 | 0.045 (2) | 0.068 (3) | 0.058 (3) | 0.017 (2) | 0.005 (2) | 0.017 (2) |
C44 | 0.040 (2) | 0.058 (3) | 0.048 (2) | 0.0037 (19) | 0.0076 (18) | 0.0135 (19) |
C45 | 0.38 (3) | 0.24 (2) | 0.223 (19) | 0.000 | 0.26 (2) | 0.000 |
Cl1 | 0.0466 (5) | 0.0299 (4) | 0.0470 (5) | 0.0030 (4) | 0.0145 (4) | 0.0115 (3) |
Cl2 | 0.290 (5) | 0.359 (7) | 0.374 (7) | −0.093 (5) | 0.226 (5) | −0.107 (5) |
Co1 | 0.0362 (3) | 0.0334 (3) | 0.0421 (3) | −0.0005 (2) | 0.0168 (2) | 0.0018 (2) |
F1 | 0.181 (5) | 0.098 (3) | 0.153 (4) | 0.046 (3) | 0.052 (4) | −0.051 (3) |
F2 | 0.063 (3) | 0.247 (6) | 0.307 (7) | −0.031 (3) | 0.048 (4) | −0.175 (6) |
F3 | 0.250 (7) | 0.159 (5) | 0.371 (10) | 0.103 (5) | 0.222 (8) | 0.155 (6) |
F4 | 0.089 (2) | 0.114 (3) | 0.125 (3) | 0.022 (2) | 0.037 (2) | −0.045 (2) |
F5 | 0.119 (4) | 0.266 (7) | 0.264 (8) | 0.001 (5) | −0.076 (5) | −0.158 (6) |
F6 | 0.579 (14) | 0.208 (6) | 0.312 (8) | 0.264 (8) | 0.364 (10) | 0.190 (6) |
P1 | 0.0288 (4) | 0.0308 (5) | 0.0347 (5) | −0.0010 (3) | 0.0067 (4) | 0.0005 (3) |
P2 | 0.0294 (5) | 0.0258 (4) | 0.0329 (5) | −0.0002 (3) | 0.0062 (4) | 0.0034 (3) |
P3 | 0.0511 (7) | 0.0432 (7) | 0.0776 (8) | 0.0063 (5) | 0.0119 (6) | −0.0112 (6) |
Ru1 | 0.02740 (16) | 0.02408 (16) | 0.03259 (17) | 0.00212 (10) | 0.00861 (12) | 0.00387 (9) |
Geometric parameters (Å, º) top
C1—C6 | 1.508 (5) | C25—C26 | 1.397 (6) |
C1—H1A | 0.9600 | C25—Co1 | 2.028 (4) |
C1—H1B | 0.9600 | C25—H25 | 0.9800 |
C1—H1C | 0.9600 | C26—C27 | 1.426 (5) |
C2—C7 | 1.497 (6) | C26—Co1 | 2.034 (4) |
C2—H2A | 0.9600 | C26—H26 | 0.9800 |
C2—H2B | 0.9600 | C27—Co1 | 2.041 (4) |
C2—H2C | 0.9600 | C27—H27 | 0.9800 |
C3—C8 | 1.505 (5) | C28—C29 | 1.420 (5) |
C3—H3A | 0.9600 | C28—C32 | 1.442 (5) |
C3—H3B | 0.9600 | C28—P2 | 1.852 (4) |
C3—H3C | 0.9600 | C28—Co1 | 2.044 (4) |
C4—C9 | 1.494 (6) | C29—C30 | 1.416 (6) |
C4—H4A | 0.9600 | C29—Co1 | 2.021 (4) |
C4—H4B | 0.9600 | C29—H29 | 0.9800 |
C4—H4C | 0.9600 | C30—C31 | 1.408 (6) |
C5—C10 | 1.506 (5) | C30—Co1 | 2.040 (4) |
C5—H5A | 0.9600 | C30—H30 | 0.9800 |
C5—H5B | 0.9600 | C31—C32 | 1.425 (5) |
C5—H5C | 0.9600 | C31—Co1 | 2.035 (4) |
C6—C10 | 1.422 (5) | C31—H31 | 0.9800 |
C6—C7 | 1.429 (5) | C32—Co1 | 2.026 (4) |
C6—Ru1 | 2.239 (4) | C32—H32 | 0.9800 |
C7—C8 | 1.437 (6) | C33—C38 | 1.378 (5) |
C7—Ru1 | 2.213 (4) | C33—C34 | 1.380 (5) |
C8—C9 | 1.409 (6) | C33—P2 | 1.853 (4) |
C8—Ru1 | 2.251 (4) | C34—C35 | 1.416 (6) |
C9—C10 | 1.435 (5) | C34—H34 | 0.9300 |
C9—Ru1 | 2.261 (4) | C35—C36 | 1.343 (7) |
C10—Ru1 | 2.223 (3) | C35—H35 | 0.9300 |
C11—C12 | 1.389 (6) | C36—C37 | 1.388 (7) |
C11—C16 | 1.392 (6) | C36—H36 | 0.9300 |
C11—P1 | 1.850 (4) | C37—C38 | 1.392 (6) |
C12—C13 | 1.385 (6) | C37—H37 | 0.9300 |
C12—H12 | 0.9300 | C38—H38 | 0.9300 |
C13—C14 | 1.398 (7) | C39—C40 | 1.379 (5) |
C13—H13 | 0.9300 | C39—C44 | 1.403 (5) |
C14—C15 | 1.354 (7) | C39—P2 | 1.836 (3) |
C14—H14 | 0.9300 | C40—C41 | 1.379 (5) |
C15—C16 | 1.398 (6) | C40—H40 | 0.9300 |
C15—H15 | 0.9300 | C41—C42 | 1.381 (7) |
C16—H16 | 0.9300 | C41—H41 | 0.9300 |
C17—C18 | 1.387 (5) | C42—C43 | 1.391 (7) |
C17—C22 | 1.392 (5) | C42—H42 | 0.9300 |
C17—P1 | 1.833 (4) | C43—C44 | 1.370 (6) |
C18—C19 | 1.384 (6) | C43—H43 | 0.9300 |
C18—H18 | 0.9300 | C44—H44 | 0.9300 |
C19—C20 | 1.355 (7) | C45—Cl2 | 1.854 (13) |
C19—H19 | 0.9300 | C45—Cl2i | 1.854 (13) |
C20—C21 | 1.364 (7) | C45—H45A | 0.9700 |
C20—H20 | 0.9300 | C45—H45B | 0.9700 |
C21—C22 | 1.382 (6) | Cl1—Ru1 | 2.4451 (9) |
C21—H21 | 0.9300 | F1—P3 | 1.564 (4) |
C22—H22 | 0.9300 | F2—P3 | 1.504 (4) |
C23—C27 | 1.432 (5) | F3—P3 | 1.497 (5) |
C23—C24 | 1.445 (5) | F4—P3 | 1.579 (3) |
C23—P1 | 1.844 (4) | F5—P3 | 1.512 (5) |
C23—Co1 | 2.038 (3) | F6—P3 | 1.459 (5) |
C24—C25 | 1.416 (6) | P1—Ru1 | 2.3222 (9) |
C24—Co1 | 2.023 (4) | P2—Ru1 | 2.3061 (9) |
C24—H24 | 0.9800 | | |
| | | |
C6—C1—H1A | 109.5 | Co1—C31—H31 | 125.8 |
C6—C1—H1B | 109.5 | C31—C32—C28 | 107.9 (3) |
H1A—C1—H1B | 109.5 | C31—C32—Co1 | 69.8 (2) |
C6—C1—H1C | 109.5 | C28—C32—Co1 | 69.9 (2) |
H1A—C1—H1C | 109.5 | C31—C32—H32 | 126.1 |
H1B—C1—H1C | 109.5 | C28—C32—H32 | 126.1 |
C7—C2—H2A | 109.5 | Co1—C32—H32 | 126.0 |
C7—C2—H2B | 109.5 | C38—C33—C34 | 118.6 (4) |
H2A—C2—H2B | 109.5 | C38—C33—P2 | 118.8 (3) |
C7—C2—H2C | 109.5 | C34—C33—P2 | 122.5 (3) |
H2A—C2—H2C | 109.5 | C33—C34—C35 | 119.7 (4) |
H2B—C2—H2C | 109.5 | C33—C34—H34 | 120.1 |
C8—C3—H3A | 109.5 | C35—C34—H34 | 120.1 |
C8—C3—H3B | 109.5 | C36—C35—C34 | 121.0 (4) |
H3A—C3—H3B | 109.5 | C36—C35—H35 | 119.5 |
C8—C3—H3C | 109.5 | C34—C35—H35 | 119.5 |
H3A—C3—H3C | 109.5 | C35—C36—C37 | 119.8 (4) |
H3B—C3—H3C | 109.5 | C35—C36—H36 | 120.1 |
C9—C4—H4A | 109.5 | C37—C36—H36 | 120.1 |
C9—C4—H4B | 109.5 | C36—C37—C38 | 119.5 (5) |
H4A—C4—H4B | 109.5 | C36—C37—H37 | 120.3 |
C9—C4—H4C | 109.5 | C38—C37—H37 | 120.3 |
H4A—C4—H4C | 109.5 | C33—C38—C37 | 121.4 (4) |
H4B—C4—H4C | 109.5 | C33—C38—H38 | 119.3 |
C10—C5—H5A | 109.5 | C37—C38—H38 | 119.3 |
C10—C5—H5B | 109.5 | C40—C39—C44 | 118.4 (3) |
H5A—C5—H5B | 109.5 | C40—C39—P2 | 117.9 (3) |
C10—C5—H5C | 109.5 | C44—C39—P2 | 123.6 (3) |
H5A—C5—H5C | 109.5 | C41—C40—C39 | 121.7 (4) |
H5B—C5—H5C | 109.5 | C41—C40—H40 | 119.1 |
C10—C6—C7 | 108.6 (3) | C39—C40—H40 | 119.1 |
C10—C6—C1 | 126.7 (4) | C40—C41—C42 | 119.5 (4) |
C7—C6—C1 | 123.8 (4) | C40—C41—H41 | 120.2 |
C10—C6—Ru1 | 70.8 (2) | C42—C41—H41 | 120.2 |
C7—C6—Ru1 | 70.3 (2) | C41—C42—C43 | 119.5 (4) |
C1—C6—Ru1 | 133.2 (3) | C41—C42—H42 | 120.3 |
C6—C7—C8 | 107.0 (3) | C43—C42—H42 | 120.3 |
C6—C7—C2 | 127.9 (4) | C44—C43—C42 | 120.9 (4) |
C8—C7—C2 | 124.4 (4) | C44—C43—H43 | 119.6 |
C6—C7—Ru1 | 72.3 (2) | C42—C43—H43 | 119.6 |
C8—C7—Ru1 | 72.7 (2) | C43—C44—C39 | 120.0 (4) |
C2—C7—Ru1 | 128.0 (3) | C43—C44—H44 | 120.0 |
C9—C8—C7 | 108.5 (3) | C39—C44—H44 | 120.0 |
C9—C8—C3 | 126.7 (4) | Cl2—C45—Cl2i | 97.6 (11) |
C7—C8—C3 | 124.6 (4) | Cl2—C45—H45A | 112.2 |
C9—C8—Ru1 | 72.2 (2) | Cl2i—C45—H45A | 112.2 |
C7—C8—Ru1 | 69.8 (2) | Cl2—C45—H45B | 112.2 |
C3—C8—Ru1 | 127.3 (3) | Cl2i—C45—H45B | 112.2 |
C8—C9—C10 | 108.3 (3) | H45A—C45—H45B | 109.8 |
C8—C9—C4 | 127.3 (4) | C29—Co1—C24 | 157.73 (15) |
C10—C9—C4 | 123.5 (4) | C29—Co1—C32 | 69.06 (16) |
C8—C9—Ru1 | 71.4 (2) | C24—Co1—C32 | 105.14 (16) |
C10—C9—Ru1 | 69.9 (2) | C29—Co1—C25 | 160.86 (17) |
C4—C9—Ru1 | 132.7 (3) | C24—Co1—C25 | 40.92 (16) |
C6—C10—C9 | 107.4 (3) | C32—Co1—C25 | 118.98 (16) |
C6—C10—C5 | 125.5 (4) | C29—Co1—C26 | 125.78 (17) |
C9—C10—C5 | 125.2 (4) | C24—Co1—C26 | 68.66 (17) |
C6—C10—Ru1 | 72.0 (2) | C32—Co1—C26 | 154.41 (16) |
C9—C10—Ru1 | 72.8 (2) | C25—Co1—C26 | 40.23 (16) |
C5—C10—Ru1 | 132.9 (3) | C29—Co1—C31 | 68.56 (17) |
C12—C11—C16 | 118.2 (4) | C24—Co1—C31 | 121.99 (17) |
C12—C11—P1 | 119.7 (3) | C32—Co1—C31 | 41.08 (15) |
C16—C11—P1 | 122.0 (3) | C25—Co1—C31 | 105.28 (17) |
C13—C12—C11 | 121.6 (4) | C26—Co1—C31 | 119.73 (16) |
C13—C12—H12 | 119.2 | C29—Co1—C23 | 122.36 (15) |
C11—C12—H12 | 119.2 | C24—Co1—C23 | 41.70 (14) |
C12—C13—C14 | 119.1 (5) | C32—Co1—C23 | 123.25 (15) |
C12—C13—H13 | 120.4 | C25—Co1—C23 | 69.57 (16) |
C14—C13—H13 | 120.4 | C26—Co1—C23 | 69.55 (15) |
C15—C14—C13 | 119.9 (4) | C31—Co1—C23 | 159.98 (17) |
C15—C14—H14 | 120.0 | C29—Co1—C30 | 40.79 (16) |
C13—C14—H14 | 120.0 | C24—Co1—C30 | 158.97 (17) |
C14—C15—C16 | 121.1 (4) | C32—Co1—C30 | 68.79 (17) |
C14—C15—H15 | 119.4 | C25—Co1—C30 | 123.01 (18) |
C16—C15—H15 | 119.4 | C26—Co1—C30 | 107.65 (18) |
C11—C16—C15 | 120.0 (4) | C31—Co1—C30 | 40.43 (17) |
C11—C16—H16 | 120.0 | C23—Co1—C30 | 158.30 (17) |
C15—C16—H16 | 120.0 | C29—Co1—C27 | 109.69 (16) |
C18—C17—C22 | 118.3 (4) | C24—Co1—C27 | 68.87 (16) |
C18—C17—P1 | 122.7 (3) | C32—Co1—C27 | 161.98 (14) |
C22—C17—P1 | 118.9 (3) | C25—Co1—C27 | 68.33 (16) |
C19—C18—C17 | 120.0 (4) | C26—Co1—C27 | 40.95 (15) |
C19—C18—H18 | 120.0 | C31—Co1—C27 | 156.53 (16) |
C17—C18—H18 | 120.0 | C23—Co1—C27 | 41.11 (14) |
C20—C19—C18 | 120.9 (4) | C30—Co1—C27 | 122.81 (17) |
C20—C19—H19 | 119.6 | C29—Co1—C28 | 40.89 (14) |
C18—C19—H19 | 119.6 | C24—Co1—C28 | 120.67 (15) |
C19—C20—C21 | 120.1 (4) | C32—Co1—C28 | 41.51 (13) |
C19—C20—H20 | 119.9 | C25—Co1—C28 | 155.78 (16) |
C21—C20—H20 | 119.9 | C26—Co1—C28 | 162.92 (16) |
C20—C21—C22 | 120.2 (4) | C31—Co1—C28 | 69.26 (15) |
C20—C21—H21 | 119.9 | C23—Co1—C28 | 107.09 (14) |
C22—C21—H21 | 119.9 | C30—Co1—C28 | 68.93 (16) |
C21—C22—C17 | 120.4 (4) | C27—Co1—C28 | 125.77 (14) |
C21—C22—H22 | 119.8 | C17—P1—C23 | 100.76 (16) |
C17—C22—H22 | 119.8 | C17—P1—C11 | 103.23 (18) |
C27—C23—C24 | 106.0 (3) | C23—P1—C11 | 93.56 (16) |
C27—C23—P1 | 131.7 (3) | C17—P1—Ru1 | 118.36 (12) |
C24—C23—P1 | 122.1 (3) | C23—P1—Ru1 | 122.09 (12) |
C27—C23—Co1 | 69.6 (2) | C11—P1—Ru1 | 114.66 (13) |
C24—C23—Co1 | 68.6 (2) | C39—P2—C28 | 98.51 (16) |
P1—C23—Co1 | 129.52 (18) | C39—P2—C33 | 103.42 (18) |
C25—C24—C23 | 108.3 (3) | C28—P2—C33 | 98.78 (16) |
C25—C24—Co1 | 69.7 (2) | C39—P2—Ru1 | 118.23 (12) |
C23—C24—Co1 | 69.7 (2) | C28—P2—Ru1 | 121.80 (12) |
C25—C24—H24 | 125.9 | C33—P2—Ru1 | 112.86 (12) |
C23—C24—H24 | 125.9 | F6—P3—F3 | 175.1 (6) |
Co1—C24—H24 | 125.9 | F6—P3—F2 | 97.1 (6) |
C26—C25—C24 | 108.9 (3) | F3—P3—F2 | 87.2 (4) |
C26—C25—Co1 | 70.1 (2) | F6—P3—F5 | 89.4 (6) |
C24—C25—Co1 | 69.4 (2) | F3—P3—F5 | 86.4 (5) |
C26—C25—H25 | 125.6 | F2—P3—F5 | 172.8 (5) |
C24—C25—H25 | 125.6 | F6—P3—F1 | 88.7 (3) |
Co1—C25—H25 | 125.6 | F3—P3—F1 | 89.3 (3) |
C25—C26—C27 | 108.1 (3) | F2—P3—F1 | 86.8 (3) |
C25—C26—Co1 | 69.7 (2) | F5—P3—F1 | 96.4 (3) |
C27—C26—Co1 | 69.8 (2) | F6—P3—F4 | 89.9 (3) |
C25—C26—H26 | 125.9 | F3—P3—F4 | 92.2 (3) |
C27—C26—H26 | 125.9 | F2—P3—F4 | 91.7 (2) |
Co1—C26—H26 | 125.9 | F5—P3—F4 | 85.3 (3) |
C26—C27—C23 | 108.7 (3) | F1—P3—F4 | 177.8 (3) |
C26—C27—Co1 | 69.2 (2) | C7—Ru1—C10 | 62.92 (14) |
C23—C27—Co1 | 69.3 (2) | C7—Ru1—C6 | 37.43 (13) |
C26—C27—H27 | 125.6 | C10—Ru1—C6 | 37.17 (14) |
C23—C27—H27 | 125.6 | C7—Ru1—C8 | 37.53 (14) |
Co1—C27—H27 | 125.6 | C10—Ru1—C8 | 61.99 (14) |
C29—C28—C32 | 106.5 (3) | C6—Ru1—C8 | 61.71 (14) |
C29—C28—P2 | 126.0 (3) | C7—Ru1—C9 | 62.16 (15) |
C32—C28—P2 | 127.5 (3) | C10—Ru1—C9 | 37.31 (13) |
C29—C28—Co1 | 68.7 (2) | C6—Ru1—C9 | 61.55 (15) |
C32—C28—Co1 | 68.6 (2) | C8—Ru1—C9 | 36.39 (14) |
P2—C28—Co1 | 128.77 (18) | C7—Ru1—P2 | 105.42 (11) |
C30—C29—C28 | 109.2 (4) | C10—Ru1—P2 | 115.94 (10) |
C30—C29—Co1 | 70.3 (2) | C6—Ru1—P2 | 93.53 (11) |
C28—C29—Co1 | 70.4 (2) | C8—Ru1—P2 | 142.09 (11) |
C30—C29—H29 | 125.4 | C9—Ru1—P2 | 152.81 (10) |
C28—C29—H29 | 125.4 | C7—Ru1—P1 | 157.44 (11) |
Co1—C29—H29 | 125.4 | C10—Ru1—P1 | 103.45 (10) |
C31—C30—C29 | 108.0 (4) | C6—Ru1—P1 | 138.24 (10) |
C31—C30—Co1 | 69.6 (2) | C8—Ru1—P1 | 121.02 (11) |
C29—C30—Co1 | 68.9 (2) | C9—Ru1—P1 | 95.90 (11) |
C31—C30—H30 | 126.0 | P2—Ru1—P1 | 96.69 (3) |
C29—C30—H30 | 126.0 | C7—Ru1—Cl1 | 96.71 (10) |
Co1—C30—H30 | 126.0 | C10—Ru1—Cl1 | 151.15 (10) |
C30—C31—C32 | 108.3 (3) | C6—Ru1—Cl1 | 132.53 (10) |
C30—C31—Co1 | 70.0 (2) | C8—Ru1—Cl1 | 89.31 (10) |
C32—C31—Co1 | 69.1 (2) | C9—Ru1—Cl1 | 116.29 (10) |
C30—C31—H31 | 125.8 | P2—Ru1—Cl1 | 88.10 (3) |
C32—C31—H31 | 125.8 | P1—Ru1—Cl1 | 88.29 (3) |
| | | |
C10—C6—C7—C8 | −4.1 (4) | C31—C30—Co1—C32 | 37.7 (2) |
C1—C6—C7—C8 | 165.7 (4) | C29—C30—Co1—C32 | −82.1 (3) |
Ru1—C6—C7—C8 | −64.9 (2) | C31—C30—Co1—C25 | −73.9 (3) |
C10—C6—C7—C2 | −174.5 (4) | C29—C30—Co1—C25 | 166.3 (2) |
C1—C6—C7—C2 | −4.7 (6) | C31—C30—Co1—C26 | −115.4 (3) |
Ru1—C6—C7—C2 | 124.7 (4) | C29—C30—Co1—C26 | 124.8 (3) |
C10—C6—C7—Ru1 | 60.7 (3) | C29—C30—Co1—C31 | −119.8 (4) |
C1—C6—C7—Ru1 | −129.5 (4) | C31—C30—Co1—C23 | 165.7 (4) |
C6—C7—C8—C9 | 2.5 (4) | C29—C30—Co1—C23 | 45.9 (5) |
C2—C7—C8—C9 | 173.3 (3) | C31—C30—Co1—C27 | −157.8 (2) |
Ru1—C7—C8—C9 | −62.1 (2) | C29—C30—Co1—C27 | 82.3 (3) |
C6—C7—C8—C3 | −173.4 (3) | C31—C30—Co1—C28 | 82.4 (3) |
C2—C7—C8—C3 | −2.5 (6) | C29—C30—Co1—C28 | −37.5 (2) |
Ru1—C7—C8—C3 | 122.0 (4) | C26—C27—Co1—C29 | 122.3 (2) |
C6—C7—C8—Ru1 | 64.6 (2) | C23—C27—Co1—C29 | −117.0 (2) |
C2—C7—C8—Ru1 | −124.6 (4) | C26—C27—Co1—C24 | −81.4 (3) |
C7—C8—C9—C10 | 0.1 (4) | C23—C27—Co1—C24 | 39.2 (2) |
C3—C8—C9—C10 | 175.8 (4) | C26—C27—Co1—C32 | −154.9 (5) |
Ru1—C8—C9—C10 | −60.5 (2) | C23—C27—Co1—C32 | −34.3 (6) |
C7—C8—C9—C4 | −169.3 (4) | C26—C27—Co1—C25 | −37.3 (2) |
C3—C8—C9—C4 | 6.4 (6) | C23—C27—Co1—C25 | 83.3 (2) |
Ru1—C8—C9—C4 | 130.1 (4) | C23—C27—Co1—C26 | 120.6 (3) |
C7—C8—C9—Ru1 | 60.6 (2) | C26—C27—Co1—C31 | 41.0 (5) |
C3—C8—C9—Ru1 | −123.6 (4) | C23—C27—Co1—C31 | 161.6 (4) |
C7—C6—C10—C9 | 4.2 (4) | C26—C27—Co1—C23 | −120.6 (3) |
C1—C6—C10—C9 | −165.2 (4) | C26—C27—Co1—C30 | 78.9 (3) |
Ru1—C6—C10—C9 | 64.6 (2) | C23—C27—Co1—C30 | −160.5 (2) |
C7—C6—C10—C5 | 169.2 (3) | C26—C27—Co1—C28 | 165.3 (2) |
C1—C6—C10—C5 | −0.3 (6) | C23—C27—Co1—C28 | −74.1 (3) |
Ru1—C6—C10—C5 | −130.4 (4) | C32—C28—Co1—C29 | −118.8 (3) |
C7—C6—C10—Ru1 | −60.4 (2) | P2—C28—Co1—C29 | 119.7 (3) |
C1—C6—C10—Ru1 | 130.2 (4) | C29—C28—Co1—C24 | −163.5 (2) |
C8—C9—C10—C6 | −2.7 (4) | C32—C28—Co1—C24 | 77.8 (2) |
C4—C9—C10—C6 | 167.2 (4) | P2—C28—Co1—C24 | −43.8 (3) |
Ru1—C9—C10—C6 | −64.1 (2) | C29—C28—Co1—C32 | 118.8 (3) |
C8—C9—C10—C5 | −167.7 (4) | P2—C28—Co1—C32 | −121.5 (3) |
C4—C9—C10—C5 | 2.2 (6) | C29—C28—Co1—C25 | 161.9 (4) |
Ru1—C9—C10—C5 | 130.8 (4) | C32—C28—Co1—C25 | 43.1 (5) |
C8—C9—C10—Ru1 | 61.5 (2) | P2—C28—Co1—C25 | −78.4 (4) |
C4—C9—C10—Ru1 | −128.6 (4) | C29—C28—Co1—C26 | −44.1 (6) |
C16—C11—C12—C13 | −0.8 (7) | C32—C28—Co1—C26 | −162.9 (5) |
P1—C11—C12—C13 | −177.6 (4) | P2—C28—Co1—C26 | 75.6 (6) |
C11—C12—C13—C14 | −0.5 (7) | C29—C28—Co1—C31 | 80.8 (3) |
C12—C13—C14—C15 | 1.0 (8) | C32—C28—Co1—C31 | −38.0 (2) |
C13—C14—C15—C16 | −0.2 (8) | P2—C28—Co1—C31 | −159.5 (3) |
C12—C11—C16—C15 | 1.6 (7) | C29—C28—Co1—C23 | −120.0 (2) |
P1—C11—C16—C15 | 178.3 (3) | C32—C28—Co1—C23 | 121.2 (2) |
C14—C15—C16—C11 | −1.1 (8) | P2—C28—Co1—C23 | −0.3 (3) |
C22—C17—C18—C19 | 1.0 (6) | C29—C28—Co1—C30 | 37.4 (2) |
P1—C17—C18—C19 | 179.3 (3) | C32—C28—Co1—C30 | −81.4 (2) |
C17—C18—C19—C20 | −0.9 (7) | P2—C28—Co1—C30 | 157.1 (3) |
C18—C19—C20—C21 | 0.7 (8) | C29—C28—Co1—C27 | −78.6 (3) |
C19—C20—C21—C22 | −0.6 (7) | C32—C28—Co1—C27 | 162.6 (2) |
C20—C21—C22—C17 | 0.7 (6) | P2—C28—Co1—C27 | 41.1 (3) |
C18—C17—C22—C21 | −0.9 (6) | C18—C17—P1—C23 | 122.8 (3) |
P1—C17—C22—C21 | −179.3 (3) | C22—C17—P1—C23 | −58.9 (3) |
C27—C23—C24—C25 | 0.7 (4) | C18—C17—P1—C11 | 26.5 (4) |
P1—C23—C24—C25 | 176.7 (3) | C22—C17—P1—C11 | −155.2 (3) |
Co1—C23—C24—C25 | −59.2 (3) | C18—C17—P1—Ru1 | −101.4 (3) |
C27—C23—C24—Co1 | 59.9 (2) | C22—C17—P1—Ru1 | 76.9 (3) |
P1—C23—C24—Co1 | −124.1 (3) | C27—C23—P1—C17 | 15.4 (4) |
C23—C24—C25—C26 | 0.0 (5) | C24—C23—P1—C17 | −159.4 (3) |
Co1—C24—C25—C26 | −59.2 (3) | Co1—C23—P1—C17 | 112.9 (2) |
C23—C24—C25—Co1 | 59.2 (3) | C27—C23—P1—C11 | 119.6 (4) |
C24—C25—C26—C27 | −0.7 (5) | C24—C23—P1—C11 | −55.2 (3) |
Co1—C25—C26—C27 | −59.4 (3) | Co1—C23—P1—C11 | −142.9 (2) |
C24—C25—C26—Co1 | 58.7 (3) | C27—C23—P1—Ru1 | −118.2 (3) |
C25—C26—C27—C23 | 1.1 (5) | C24—C23—P1—Ru1 | 66.9 (3) |
Co1—C26—C27—C23 | −58.2 (3) | Co1—C23—P1—Ru1 | −20.8 (3) |
C25—C26—C27—Co1 | 59.3 (3) | C12—C11—P1—C17 | −139.6 (3) |
C24—C23—C27—C26 | −1.1 (4) | C16—C11—P1—C17 | 43.8 (4) |
P1—C23—C27—C26 | −176.6 (3) | C12—C11—P1—C23 | 118.5 (3) |
Co1—C23—C27—C26 | 58.1 (3) | C16—C11—P1—C23 | −58.2 (4) |
C24—C23—C27—Co1 | −59.2 (2) | C12—C11—P1—Ru1 | −9.4 (4) |
P1—C23—C27—Co1 | 125.3 (3) | C16—C11—P1—Ru1 | 173.9 (3) |
C32—C28—C29—C30 | −1.5 (4) | C40—C39—P2—C28 | 121.3 (3) |
P2—C28—C29—C30 | 177.0 (3) | C44—C39—P2—C28 | −56.2 (3) |
Co1—C28—C29—C30 | −59.9 (3) | C40—C39—P2—C33 | −137.5 (3) |
C32—C28—C29—Co1 | 58.3 (2) | C44—C39—P2—C33 | 45.0 (4) |
P2—C28—C29—Co1 | −123.2 (3) | C40—C39—P2—Ru1 | −11.9 (3) |
C28—C29—C30—C31 | 1.2 (5) | C44—C39—P2—Ru1 | 170.5 (3) |
Co1—C29—C30—C31 | −58.7 (3) | C29—C28—P2—C39 | −14.0 (4) |
C28—C29—C30—Co1 | 59.9 (3) | C32—C28—P2—C39 | 164.1 (3) |
C29—C30—C31—C32 | −0.3 (5) | Co1—C28—P2—C39 | −104.4 (2) |
Co1—C30—C31—C32 | −58.6 (3) | C29—C28—P2—C33 | −119.1 (3) |
C29—C30—C31—Co1 | 58.3 (3) | C32—C28—P2—C33 | 59.0 (3) |
C30—C31—C32—C28 | −0.6 (5) | Co1—C28—P2—C33 | 150.5 (2) |
Co1—C31—C32—C28 | −59.8 (3) | C29—C28—P2—Ru1 | 116.9 (3) |
C30—C31—C32—Co1 | 59.2 (3) | C32—C28—P2—Ru1 | −64.9 (3) |
C29—C28—C32—C31 | 1.3 (4) | Co1—C28—P2—Ru1 | 26.5 (3) |
P2—C28—C32—C31 | −177.1 (3) | C38—C33—P2—C39 | −164.1 (3) |
Co1—C28—C32—C31 | 59.7 (3) | C34—C33—P2—C39 | 20.1 (4) |
C29—C28—C32—Co1 | −58.4 (2) | C38—C33—P2—C28 | −63.1 (3) |
P2—C28—C32—Co1 | 123.1 (3) | C34—C33—P2—C28 | 121.1 (4) |
C38—C33—C34—C35 | 0.0 (6) | C38—C33—P2—Ru1 | 67.0 (3) |
P2—C33—C34—C35 | 175.9 (4) | C34—C33—P2—Ru1 | −108.9 (3) |
C33—C34—C35—C36 | 0.6 (8) | C6—C7—Ru1—C10 | −36.4 (2) |
C34—C35—C36—C37 | −1.3 (8) | C8—C7—Ru1—C10 | 78.5 (2) |
C35—C36—C37—C38 | 1.3 (8) | C2—C7—Ru1—C10 | −161.1 (4) |
C34—C33—C38—C37 | 0.0 (6) | C8—C7—Ru1—C6 | 114.9 (3) |
P2—C33—C38—C37 | −176.0 (3) | C2—C7—Ru1—C6 | −124.7 (5) |
C36—C37—C38—C33 | −0.7 (7) | C6—C7—Ru1—C8 | −114.9 (3) |
C44—C39—C40—C41 | 0.1 (6) | C2—C7—Ru1—C8 | 120.4 (5) |
P2—C39—C40—C41 | −177.6 (3) | C6—C7—Ru1—C9 | −78.7 (2) |
C39—C40—C41—C42 | −1.3 (7) | C8—C7—Ru1—C9 | 36.2 (2) |
C40—C41—C42—C43 | 1.4 (7) | C2—C7—Ru1—C9 | 156.6 (4) |
C41—C42—C43—C44 | −0.3 (7) | C6—C7—Ru1—P2 | 75.2 (2) |
C42—C43—C44—C39 | −1.0 (7) | C8—C7—Ru1—P2 | −169.92 (19) |
C40—C39—C44—C43 | 1.1 (6) | C2—C7—Ru1—P2 | −49.5 (4) |
P2—C39—C44—C43 | 178.6 (3) | C6—C7—Ru1—P1 | −93.1 (3) |
C30—C29—Co1—C24 | 160.1 (4) | C8—C7—Ru1—P1 | 21.8 (4) |
C28—C29—Co1—C24 | 40.2 (5) | C2—C7—Ru1—P1 | 142.2 (3) |
C30—C29—Co1—C32 | 81.4 (3) | C6—C7—Ru1—Cl1 | 165.1 (2) |
C28—C29—Co1—C32 | −38.5 (2) | C8—C7—Ru1—Cl1 | −80.0 (2) |
C30—C29—Co1—C25 | −37.3 (6) | C2—C7—Ru1—Cl1 | 40.4 (4) |
C28—C29—Co1—C25 | −157.1 (5) | C6—C10—Ru1—C7 | 36.7 (2) |
C30—C29—Co1—C26 | −74.7 (3) | C9—C10—Ru1—C7 | −78.8 (2) |
C28—C29—Co1—C26 | 165.4 (2) | C5—C10—Ru1—C7 | 158.9 (4) |
C30—C29—Co1—C31 | 37.2 (3) | C9—C10—Ru1—C6 | −115.5 (3) |
C28—C29—Co1—C31 | −82.7 (2) | C5—C10—Ru1—C6 | 122.2 (5) |
C30—C29—Co1—C23 | −161.7 (2) | C6—C10—Ru1—C8 | 79.2 (2) |
C28—C29—Co1—C23 | 78.5 (2) | C9—C10—Ru1—C8 | −36.3 (2) |
C28—C29—Co1—C30 | −119.9 (3) | C5—C10—Ru1—C8 | −158.6 (5) |
C30—C29—Co1—C27 | −117.8 (3) | C6—C10—Ru1—C9 | 115.5 (3) |
C28—C29—Co1—C27 | 122.4 (2) | C5—C10—Ru1—C9 | −122.3 (5) |
C30—C29—Co1—C28 | 119.9 (3) | C6—C10—Ru1—P2 | −58.1 (2) |
C25—C24—Co1—C29 | 171.4 (4) | C9—C10—Ru1—P2 | −173.57 (19) |
C23—C24—Co1—C29 | 51.8 (5) | C5—C10—Ru1—P2 | 64.1 (4) |
C25—C24—Co1—C32 | −117.0 (2) | C6—C10—Ru1—P1 | −162.6 (2) |
C23—C24—Co1—C32 | 123.4 (2) | C9—C10—Ru1—P1 | 82.0 (2) |
C23—C24—Co1—C25 | −119.6 (3) | C5—C10—Ru1—P1 | −40.4 (4) |
C25—C24—Co1—C26 | 36.8 (2) | C6—C10—Ru1—Cl1 | 85.7 (3) |
C23—C24—Co1—C26 | −82.8 (2) | C9—C10—Ru1—Cl1 | −29.8 (4) |
C25—C24—Co1—C31 | −75.8 (3) | C5—C10—Ru1—Cl1 | −152.1 (3) |
C23—C24—Co1—C31 | 164.6 (2) | C10—C6—Ru1—C7 | −118.9 (3) |
C25—C24—Co1—C23 | 119.6 (3) | C1—C6—Ru1—C7 | 118.3 (5) |
C25—C24—Co1—C30 | −46.9 (6) | C7—C6—Ru1—C10 | 118.9 (3) |
C23—C24—Co1—C30 | −166.5 (4) | C1—C6—Ru1—C10 | −122.8 (5) |
C25—C24—Co1—C27 | 80.9 (2) | C10—C6—Ru1—C8 | −80.1 (2) |
C23—C24—Co1—C27 | −38.7 (2) | C7—C6—Ru1—C8 | 38.9 (2) |
C25—C24—Co1—C28 | −159.2 (2) | C1—C6—Ru1—C8 | 157.2 (5) |
C23—C24—Co1—C28 | 81.3 (2) | C10—C6—Ru1—C9 | −38.5 (2) |
C31—C32—Co1—C29 | −81.0 (3) | C7—C6—Ru1—C9 | 80.4 (3) |
C28—C32—Co1—C29 | 37.9 (2) | C1—C6—Ru1—C9 | −161.3 (5) |
C31—C32—Co1—C24 | 121.7 (3) | C10—C6—Ru1—P2 | 130.1 (2) |
C28—C32—Co1—C24 | −119.5 (2) | C7—C6—Ru1—P2 | −111.0 (2) |
C31—C32—Co1—C25 | 79.8 (3) | C1—C6—Ru1—P2 | 7.3 (4) |
C28—C32—Co1—C25 | −161.3 (2) | C10—C6—Ru1—P1 | 26.0 (3) |
C31—C32—Co1—C26 | 49.6 (5) | C7—C6—Ru1—P1 | 144.9 (2) |
C28—C32—Co1—C26 | 168.5 (3) | C1—C6—Ru1—P1 | −96.8 (4) |
C28—C32—Co1—C31 | 118.9 (3) | C10—C6—Ru1—Cl1 | −139.24 (18) |
C31—C32—Co1—C23 | 163.3 (2) | C7—C6—Ru1—Cl1 | −20.3 (3) |
C28—C32—Co1—C23 | −77.8 (2) | C1—C6—Ru1—Cl1 | 98.0 (4) |
C31—C32—Co1—C30 | −37.1 (3) | C9—C8—Ru1—C7 | 118.3 (3) |
C28—C32—Co1—C30 | 81.8 (2) | C3—C8—Ru1—C7 | −118.7 (5) |
C31—C32—Co1—C27 | −170.4 (5) | C9—C8—Ru1—C10 | 37.2 (2) |
C28—C32—Co1—C27 | −51.5 (6) | C7—C8—Ru1—C10 | −81.1 (2) |
C31—C32—Co1—C28 | −118.9 (3) | C3—C8—Ru1—C10 | 160.2 (5) |
C26—C25—Co1—C29 | −49.8 (6) | C9—C8—Ru1—C6 | 79.5 (2) |
C24—C25—Co1—C29 | −170.1 (5) | C7—C8—Ru1—C6 | −38.8 (2) |
C26—C25—Co1—C24 | 120.2 (3) | C3—C8—Ru1—C6 | −157.4 (5) |
C26—C25—Co1—C32 | −160.3 (2) | C7—C8—Ru1—C9 | −118.3 (3) |
C24—C25—Co1—C32 | 79.4 (3) | C3—C8—Ru1—C9 | 123.0 (5) |
C24—C25—Co1—C26 | −120.2 (3) | C9—C8—Ru1—P2 | 134.3 (2) |
C26—C25—Co1—C31 | −118.2 (3) | C7—C8—Ru1—P2 | 15.9 (3) |
C24—C25—Co1—C31 | 121.5 (2) | C3—C8—Ru1—P2 | −102.7 (4) |
C26—C25—Co1—C23 | 82.1 (3) | C9—C8—Ru1—P1 | −52.1 (2) |
C24—C25—Co1—C23 | −38.1 (2) | C7—C8—Ru1—P1 | −170.43 (18) |
C26—C25—Co1—C30 | −78.0 (3) | C3—C8—Ru1—P1 | 70.9 (4) |
C24—C25—Co1—C30 | 161.8 (2) | C9—C8—Ru1—Cl1 | −139.7 (2) |
C26—C25—Co1—C27 | 37.9 (2) | C7—C8—Ru1—Cl1 | 102.0 (2) |
C24—C25—Co1—C27 | −82.3 (2) | C3—C8—Ru1—Cl1 | −16.7 (4) |
C26—C25—Co1—C28 | 168.5 (3) | C8—C9—Ru1—C7 | −37.3 (2) |
C24—C25—Co1—C28 | 48.3 (5) | C10—C9—Ru1—C7 | 81.0 (2) |
C25—C26—Co1—C29 | 162.0 (2) | C4—C9—Ru1—C7 | −161.4 (5) |
C27—C26—Co1—C29 | −78.7 (3) | C8—C9—Ru1—C10 | −118.3 (3) |
C25—C26—Co1—C24 | −37.4 (2) | C4—C9—Ru1—C10 | 117.6 (5) |
C27—C26—Co1—C24 | 81.9 (2) | C8—C9—Ru1—C6 | −80.0 (2) |
C25—C26—Co1—C32 | 43.0 (5) | C10—C9—Ru1—C6 | 38.3 (2) |
C27—C26—Co1—C32 | 162.3 (3) | C4—C9—Ru1—C6 | 155.9 (5) |
C27—C26—Co1—C25 | 119.3 (4) | C10—C9—Ru1—C8 | 118.3 (3) |
C25—C26—Co1—C31 | 78.2 (3) | C4—C9—Ru1—C8 | −124.1 (5) |
C27—C26—Co1—C31 | −162.5 (2) | C8—C9—Ru1—P2 | −105.6 (3) |
C25—C26—Co1—C23 | −82.2 (3) | C10—C9—Ru1—P2 | 12.7 (4) |
C27—C26—Co1—C23 | 37.2 (2) | C4—C9—Ru1—P2 | 130.3 (4) |
C25—C26—Co1—C30 | 120.6 (3) | C8—C9—Ru1—P1 | 137.2 (2) |
C27—C26—Co1—C30 | −120.1 (3) | C10—C9—Ru1—P1 | −104.5 (2) |
C25—C26—Co1—C27 | −119.3 (4) | C4—C9—Ru1—P1 | 13.1 (4) |
C25—C26—Co1—C28 | −163.8 (5) | C8—C9—Ru1—Cl1 | 46.1 (2) |
C27—C26—Co1—C28 | −44.5 (6) | C10—C9—Ru1—Cl1 | 164.49 (19) |
C30—C31—Co1—C29 | −37.5 (2) | C4—C9—Ru1—Cl1 | −77.9 (4) |
C32—C31—Co1—C29 | 82.3 (3) | C39—P2—Ru1—C7 | −92.98 (17) |
C30—C31—Co1—C24 | 164.5 (2) | C28—P2—Ru1—C7 | 144.98 (16) |
C32—C31—Co1—C24 | −75.6 (3) | C33—P2—Ru1—C7 | 27.83 (17) |
C30—C31—Co1—C32 | −119.8 (4) | C39—P2—Ru1—C10 | −26.00 (18) |
C30—C31—Co1—C25 | 123.4 (3) | C28—P2—Ru1—C10 | −148.03 (17) |
C32—C31—Co1—C25 | −116.8 (3) | C33—P2—Ru1—C10 | 94.81 (17) |
C30—C31—Co1—C26 | 82.4 (3) | C39—P2—Ru1—C6 | −56.92 (17) |
C32—C31—Co1—C26 | −157.7 (2) | C28—P2—Ru1—C6 | −178.95 (16) |
C30—C31—Co1—C23 | −164.5 (4) | C33—P2—Ru1—C6 | 63.89 (17) |
C32—C31—Co1—C23 | −44.7 (5) | C39—P2—Ru1—C8 | −103.0 (2) |
C32—C31—Co1—C30 | 119.8 (4) | C28—P2—Ru1—C8 | 135.0 (2) |
C30—C31—Co1—C27 | 52.7 (5) | C33—P2—Ru1—C8 | 17.8 (2) |
C32—C31—Co1—C27 | 172.6 (4) | C39—P2—Ru1—C9 | −34.5 (3) |
C30—C31—Co1—C28 | −81.5 (3) | C28—P2—Ru1—C9 | −156.6 (3) |
C32—C31—Co1—C28 | 38.4 (2) | C33—P2—Ru1—C9 | 86.3 (3) |
C27—C23—Co1—C29 | 83.2 (2) | C39—P2—Ru1—P1 | 82.52 (14) |
C24—C23—Co1—C29 | −159.3 (2) | C28—P2—Ru1—P1 | −39.52 (13) |
P1—C23—Co1—C29 | −44.7 (3) | C33—P2—Ru1—P1 | −156.67 (13) |
C27—C23—Co1—C24 | −117.5 (3) | C39—P2—Ru1—Cl1 | 170.58 (14) |
P1—C23—Co1—C24 | 114.6 (3) | C28—P2—Ru1—Cl1 | 48.54 (13) |
C27—C23—Co1—C32 | 168.0 (2) | C33—P2—Ru1—Cl1 | −68.61 (13) |
C24—C23—Co1—C32 | −74.5 (3) | C17—P1—Ru1—C7 | 79.5 (3) |
P1—C23—Co1—C32 | 40.1 (3) | C23—P1—Ru1—C7 | −154.4 (3) |
C27—C23—Co1—C25 | −80.1 (2) | C11—P1—Ru1—C7 | −42.8 (3) |
C24—C23—Co1—C25 | 37.4 (2) | C17—P1—Ru1—C10 | 29.60 (17) |
P1—C23—Co1—C25 | 152.1 (3) | C23—P1—Ru1—C10 | 155.69 (17) |
C27—C23—Co1—C26 | −37.0 (2) | C11—P1—Ru1—C10 | −92.68 (17) |
C24—C23—Co1—C26 | 80.5 (2) | C17—P1—Ru1—C6 | 13.8 (2) |
P1—C23—Co1—C26 | −164.9 (3) | C23—P1—Ru1—C6 | 139.9 (2) |
C27—C23—Co1—C31 | −158.5 (4) | C11—P1—Ru1—C6 | −108.5 (2) |
C24—C23—Co1—C31 | −41.0 (5) | C17—P1—Ru1—C8 | 94.80 (18) |
P1—C23—Co1—C31 | 73.6 (5) | C23—P1—Ru1—C8 | −139.12 (17) |
C27—C23—Co1—C30 | 49.4 (5) | C11—P1—Ru1—C8 | −27.49 (18) |
C24—C23—Co1—C30 | 166.9 (4) | C17—P1—Ru1—C9 | 66.71 (17) |
P1—C23—Co1—C30 | −78.4 (5) | C23—P1—Ru1—C9 | −167.20 (17) |
C24—C23—Co1—C27 | 117.5 (3) | C11—P1—Ru1—C9 | −55.57 (17) |
P1—C23—Co1—C27 | −127.9 (3) | C17—P1—Ru1—P2 | −89.15 (14) |
C27—C23—Co1—C28 | 125.3 (2) | C23—P1—Ru1—P2 | 36.94 (14) |
C24—C23—Co1—C28 | −117.2 (2) | C11—P1—Ru1—P2 | 148.57 (14) |
P1—C23—Co1—C28 | −2.6 (3) | C17—P1—Ru1—Cl1 | −177.03 (14) |
C31—C30—Co1—C29 | 119.8 (4) | C23—P1—Ru1—Cl1 | −50.94 (14) |
C31—C30—Co1—C24 | −39.1 (6) | C11—P1—Ru1—Cl1 | 60.69 (14) |
C29—C30—Co1—C24 | −158.9 (4) | | |
Symmetry code: (i) −x+1, y, −z+3/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C31—H31···F4ii | 0.98 | 2.52 | 3.234 (5) | 130 |
C35—H35···F4iii | 0.93 | 2.48 | 3.398 (6) | 170 |
C30—H30···F3ii | 0.98 | 2.50 | 3.347 (7) | 144 |
C24—H24···Cl1iv | 0.98 | 2.79 | 3.433 (4) | 124 |
Symmetry codes: (ii) −x+1, −y+1, −z+2; (iii) x, −y+1, z−1/2; (iv) −x+3/2, −y+1/2, −z+2. |