Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680602900X/gk2019sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680602900X/gk2019Isup2.hkl |
CCDC reference: 621318
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (C-C) = 0.009 Å
- Disorder in solvent or counterion
- R factor = 0.062
- wR factor = 0.162
- Data-to-parameter ratio = 14.0
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT027_ALERT_3_B _diffrn_reflns_theta_full (too) Low ............ 24.97 Deg.
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT220_ALERT_2_C Large Non-Solvent N Ueq(max)/Ueq(min) ... 2.94 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N6 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for C62 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 42.00 Perc. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 10
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C50.42 H44.83 Cl0.83 N6 P4 Atom count from _chemical_formula_moiety:C50.42 H44.84 Cl0.84 N6 P4 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: check formula stoichiometry or atom site occupancies. From the CIF: _cell_formula_units_Z 8 From the CIF: _chemical_formula_sum C50.42 H44.83 Cl0.83 N6 P4 Ru TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 403.36 403.34 0.02 H 358.64 358.67 -0.03 Cl 6.64 6.67 -0.03 N 48.00 48.00 0.00 P 32.00 32.00 0.00 Ru 8.00 8.00 0.00
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 5 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 2 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: COLLECT (Hooft, 1998); cell refinement: DENZO (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2001); software used to prepare material for publication: SHELXTL (Sheldrick, 2001) and CIFTAB (Sheldrick, 1993).
[Ru(N3)2(C25H22P2)2]·0.42CH2Cl2 | F(000) = 4060 |
Mr = 989.17 | Dx = 1.436 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 36.8818 (7) Å | Cell parameters from 8316 reflections |
b = 11.2016 (2) Å | θ = 1–25° |
c = 22.3275 (4) Å | µ = 0.57 mm−1 |
β = 97.235 (2)° | T = 173 K |
V = 9150.8 (3) Å3 | Block, yellow |
Z = 8 | 0.45 × 0.40 × 0.40 mm |
Nonius KappaCCD diffractometer | 6115 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.067 |
Graphite monochromator | θmax = 25.0°, θmin = 5.7° |
φ and ω scans | h = −34→43 |
42989 measured reflections | k = −13→13 |
7920 independent reflections | l = −26→25 |
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)] = 0.062 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.162 | H-atom parameters constrained |
S = 1.06 | w = 1/[σ2(Fo2) + (0.0635P)2 + 73.832P] where P = (Fo2 + 2Fc2)/3 |
7920 reflections | (Δ/σ)max = 0.001 |
566 parameters | Δρmax = 1.45 e Å−3 |
91 restraints | Δρmin = −0.91 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ru1 | 0.868972 (12) | 0.03797 (4) | 0.564765 (18) | 0.03287 (16) | |
N2 | 0.83196 (15) | −0.1139 (5) | 0.5837 (2) | 0.0444 (9) | |
N3 | 0.83097 (18) | −0.1544 (6) | 0.6155 (4) | 0.0658 (12) | |
N4 | 0.8268 (3) | −0.2228 (8) | 0.6628 (4) | 0.103 (2) | |
N5 | 0.90359 (15) | −0.0252 (5) | 0.6472 (2) | 0.0444 (9) | |
N6 | 0.90693 (18) | −0.0087 (6) | 0.6834 (4) | 0.0658 (12) | |
N7 | 0.9143 (3) | 0.0173 (10) | 0.7421 (5) | 0.131 (3) | |
P8 | 0.91616 (4) | 0.14491 (12) | 0.53215 (6) | 0.0335 (3) | |
C9 | 0.91267 (15) | 0.2889 (5) | 0.4922 (3) | 0.0369 (13) | |
C10 | 0.92532 (16) | 0.3037 (5) | 0.4367 (3) | 0.0404 (14) | |
H10 | 0.9364 | 0.2388 | 0.4184 | 0.048* | |
C11 | 0.92172 (18) | 0.4150 (6) | 0.4079 (3) | 0.0488 (16) | |
H11 | 0.9300 | 0.4249 | 0.3696 | 0.059* | |
C12 | 0.90634 (19) | 0.5093 (6) | 0.4343 (3) | 0.0534 (18) | |
H12 | 0.9045 | 0.5847 | 0.4147 | 0.064* | |
C13 | 0.89360 (18) | 0.4953 (6) | 0.4890 (3) | 0.0501 (16) | |
H13 | 0.8824 | 0.5605 | 0.5068 | 0.060* | |
C14 | 0.89707 (16) | 0.3861 (5) | 0.5181 (3) | 0.0405 (14) | |
H14 | 0.8887 | 0.3774 | 0.5564 | 0.049* | |
C15 | 0.95843 (16) | 0.1602 (5) | 0.5841 (2) | 0.0387 (13) | |
C16 | 0.97004 (17) | 0.2707 (6) | 0.6080 (3) | 0.0436 (14) | |
H16 | 0.9571 | 0.3410 | 0.5945 | 0.052* | |
C17 | 1.00055 (18) | 0.2787 (6) | 0.6515 (3) | 0.0531 (17) | |
H17 | 1.0083 | 0.3546 | 0.6670 | 0.064* | |
C18 | 1.01938 (18) | 0.1789 (7) | 0.6720 (3) | 0.0532 (17) | |
H18 | 1.0398 | 0.1851 | 0.7024 | 0.064* | |
C19 | 1.00849 (18) | 0.0678 (6) | 0.6481 (3) | 0.0514 (16) | |
H19 | 1.0218 | −0.0017 | 0.6617 | 0.062* | |
C20 | 0.97841 (17) | 0.0581 (6) | 0.6045 (3) | 0.0439 (14) | |
H20 | 0.9713 | −0.0179 | 0.5882 | 0.053* | |
C21 | 0.92712 (16) | 0.0344 (5) | 0.4761 (2) | 0.0365 (13) | |
H21A | 0.9534 | 0.0137 | 0.4805 | 0.044* | |
H21B | 0.9188 | 0.0595 | 0.4341 | 0.044* | |
P22 | 0.89870 (4) | −0.08648 (13) | 0.50193 (6) | 0.0334 (3) | |
C23 | 0.93031 (16) | −0.2035 (5) | 0.5315 (2) | 0.0375 (13) | |
C24 | 0.92452 (18) | −0.2648 (5) | 0.5836 (3) | 0.0428 (14) | |
H24 | 0.9045 | −0.2444 | 0.6046 | 0.051* | |
C25 | 0.94823 (19) | −0.3564 (6) | 0.6047 (3) | 0.0515 (17) | |
H25 | 0.9445 | −0.3974 | 0.6406 | 0.062* | |
C26 | 0.97691 (18) | −0.3885 (6) | 0.5746 (3) | 0.0493 (16) | |
H26 | 0.9929 | −0.4510 | 0.5898 | 0.059* | |
C27 | 0.98260 (17) | −0.3301 (6) | 0.5221 (3) | 0.0471 (15) | |
H27 | 1.0021 | −0.3535 | 0.5007 | 0.056* | |
C28 | 0.95960 (16) | −0.2371 (5) | 0.5008 (3) | 0.0418 (14) | |
H28 | 0.9638 | −0.1959 | 0.4651 | 0.050* | |
C29 | 0.87537 (16) | −0.1589 (5) | 0.4343 (2) | 0.0362 (13) | |
C30 | 0.89093 (18) | −0.1638 (6) | 0.3810 (3) | 0.0460 (15) | |
H30 | 0.9148 | −0.1331 | 0.3798 | 0.055* | |
C31 | 0.8718 (2) | −0.2133 (6) | 0.3292 (3) | 0.0534 (17) | |
H31 | 0.8825 | −0.2153 | 0.2926 | 0.064* | |
C32 | 0.8373 (2) | −0.2597 (6) | 0.3313 (3) | 0.0565 (18) | |
H32 | 0.8242 | −0.2937 | 0.2961 | 0.068* | |
C33 | 0.8219 (2) | −0.2568 (6) | 0.3841 (3) | 0.0543 (17) | |
H33 | 0.7982 | −0.2895 | 0.3853 | 0.065* | |
C34 | 0.84067 (18) | −0.2061 (5) | 0.4363 (3) | 0.0442 (15) | |
H34 | 0.8298 | −0.2039 | 0.4727 | 0.053* | |
P35 | 0.83974 (4) | 0.18708 (14) | 0.61468 (6) | 0.0387 (4) | |
C36 | 0.86325 (18) | 0.3138 (6) | 0.6535 (3) | 0.0456 (15) | |
C37 | 0.89788 (18) | 0.2976 (6) | 0.6848 (3) | 0.0491 (16) | |
H37 | 0.9096 | 0.2221 | 0.6848 | 0.059* | |
C38 | 0.9152 (2) | 0.3936 (8) | 0.7161 (3) | 0.064 (2) | |
H38 | 0.9388 | 0.3832 | 0.7381 | 0.076* | |
C39 | 0.8983 (3) | 0.5040 (8) | 0.7154 (4) | 0.074 (2) | |
H39 | 0.9102 | 0.5688 | 0.7372 | 0.089* | |
C40 | 0.8646 (3) | 0.5201 (8) | 0.6834 (4) | 0.078 (2) | |
H40 | 0.8533 | 0.5964 | 0.6822 | 0.093* | |
C41 | 0.8471 (2) | 0.4256 (7) | 0.6531 (3) | 0.064 (2) | |
H41 | 0.8235 | 0.4370 | 0.6315 | 0.077* | |
C42 | 0.80634 (16) | 0.1529 (6) | 0.6657 (2) | 0.0420 (14) | |
C43 | 0.81110 (18) | 0.0537 (6) | 0.7023 (3) | 0.0465 (15) | |
H43 | 0.8315 | 0.0029 | 0.7003 | 0.056* | |
C44 | 0.7861 (2) | 0.0276 (7) | 0.7422 (3) | 0.0625 (19) | |
H44 | 0.7896 | −0.0409 | 0.7673 | 0.075* | |
C45 | 0.7563 (2) | 0.1002 (9) | 0.7454 (3) | 0.070 (2) | |
H45 | 0.7389 | 0.0807 | 0.7717 | 0.084* | |
C46 | 0.75198 (19) | 0.2020 (8) | 0.7100 (3) | 0.067 (2) | |
H46 | 0.7320 | 0.2539 | 0.7132 | 0.080* | |
C47 | 0.77629 (18) | 0.2284 (7) | 0.6704 (3) | 0.0564 (18) | |
H47 | 0.7729 | 0.2979 | 0.6460 | 0.068* | |
C48 | 0.81337 (17) | 0.2476 (5) | 0.5451 (2) | 0.0405 (14) | |
H48A | 0.8231 | 0.3249 | 0.5326 | 0.049* | |
H48B | 0.7869 | 0.2546 | 0.5483 | 0.049* | |
P49 | 0.82406 (4) | 0.12182 (13) | 0.49612 (6) | 0.0343 (3) | |
C50 | 0.78078 (16) | 0.0405 (5) | 0.4795 (2) | 0.0372 (13) | |
C51 | 0.75941 (18) | 0.0201 (6) | 0.5262 (3) | 0.0462 (15) | |
H51 | 0.7665 | 0.0537 | 0.5649 | 0.055* | |
C52 | 0.72825 (19) | −0.0483 (6) | 0.5161 (3) | 0.0521 (16) | |
H52 | 0.7138 | −0.0600 | 0.5479 | 0.063* | |
C53 | 0.71782 (18) | −0.0999 (6) | 0.4610 (3) | 0.0534 (17) | |
H53 | 0.6966 | −0.1486 | 0.4547 | 0.064* | |
C54 | 0.73845 (18) | −0.0802 (6) | 0.4148 (3) | 0.0538 (17) | |
H54 | 0.7313 | −0.1157 | 0.3765 | 0.065* | |
C55 | 0.76943 (17) | −0.0096 (6) | 0.4232 (3) | 0.0448 (15) | |
H55 | 0.7830 | 0.0048 | 0.3905 | 0.054* | |
C56 | 0.83151 (15) | 0.1878 (5) | 0.4235 (2) | 0.0360 (13) | |
C57 | 0.82442 (17) | 0.3078 (5) | 0.4101 (3) | 0.0430 (14) | |
H57 | 0.8140 | 0.3568 | 0.4381 | 0.052* | |
C58 | 0.83232 (19) | 0.3554 (6) | 0.3569 (3) | 0.0544 (17) | |
H58 | 0.8277 | 0.4375 | 0.3485 | 0.065* | |
C59 | 0.84702 (19) | 0.2851 (7) | 0.3154 (3) | 0.0552 (18) | |
H59 | 0.8527 | 0.3192 | 0.2788 | 0.066* | |
C60 | 0.85357 (17) | 0.1646 (7) | 0.3269 (3) | 0.0497 (16) | |
H60 | 0.8633 | 0.1155 | 0.2980 | 0.060* | |
C61 | 0.84570 (16) | 0.1171 (6) | 0.3813 (2) | 0.0391 (13) | |
H61 | 0.8501 | 0.0348 | 0.3897 | 0.047* | |
C62 | 0.9988 (17) | 0.7316 (14) | 0.755 (4) | 0.126 (4) | 0.417 (7) |
H62A | 1.0045 | 0.7655 | 0.7960 | 0.151* | 0.417 (7) |
H62B | 0.9761 | 0.7690 | 0.7350 | 0.151* | 0.417 (7) |
Cl63 | 0.9939 (3) | 0.5799 (6) | 0.7582 (5) | 0.126 (3) | 0.417 (7) |
Cl64 | 1.03435 (16) | 0.7548 (5) | 0.7137 (2) | 0.087 (2) | 0.417 (7) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1 | 0.0435 (3) | 0.0312 (3) | 0.0231 (2) | −0.0034 (2) | 0.00088 (18) | −0.00104 (18) |
N2 | 0.045 (2) | 0.052 (2) | 0.036 (2) | −0.0156 (17) | 0.0027 (17) | −0.0104 (17) |
N3 | 0.062 (2) | 0.046 (2) | 0.084 (3) | 0.0059 (19) | −0.011 (2) | −0.008 (2) |
N4 | 0.137 (6) | 0.084 (5) | 0.085 (5) | −0.011 (5) | 0.005 (4) | 0.015 (4) |
N5 | 0.045 (2) | 0.052 (2) | 0.036 (2) | −0.0156 (17) | 0.0027 (17) | −0.0104 (17) |
N6 | 0.062 (2) | 0.046 (2) | 0.084 (3) | 0.0059 (19) | −0.011 (2) | −0.008 (2) |
N7 | 0.155 (7) | 0.130 (6) | 0.101 (5) | 0.011 (6) | −0.016 (5) | −0.013 (5) |
P8 | 0.0415 (8) | 0.0264 (7) | 0.0313 (7) | −0.0016 (6) | −0.0001 (6) | −0.0002 (6) |
C9 | 0.036 (3) | 0.032 (3) | 0.040 (3) | −0.003 (2) | −0.006 (2) | 0.001 (2) |
C10 | 0.042 (3) | 0.037 (3) | 0.041 (3) | −0.005 (3) | −0.002 (3) | 0.005 (3) |
C11 | 0.057 (4) | 0.046 (4) | 0.040 (3) | −0.006 (3) | −0.004 (3) | 0.012 (3) |
C12 | 0.068 (4) | 0.035 (4) | 0.050 (4) | −0.009 (3) | −0.018 (3) | 0.012 (3) |
C13 | 0.063 (4) | 0.032 (3) | 0.049 (4) | −0.002 (3) | −0.015 (3) | −0.005 (3) |
C14 | 0.048 (3) | 0.029 (3) | 0.041 (3) | −0.002 (3) | −0.006 (3) | −0.002 (2) |
C15 | 0.046 (3) | 0.038 (3) | 0.032 (3) | −0.002 (3) | 0.002 (3) | 0.002 (2) |
C16 | 0.052 (4) | 0.038 (3) | 0.040 (3) | 0.000 (3) | 0.000 (3) | −0.001 (3) |
C17 | 0.058 (4) | 0.052 (4) | 0.045 (4) | −0.003 (3) | −0.008 (3) | −0.009 (3) |
C18 | 0.047 (4) | 0.073 (5) | 0.037 (3) | 0.002 (3) | −0.005 (3) | −0.002 (3) |
C19 | 0.049 (4) | 0.052 (4) | 0.050 (4) | 0.009 (3) | −0.004 (3) | 0.008 (3) |
C20 | 0.047 (4) | 0.040 (4) | 0.043 (3) | 0.003 (3) | −0.002 (3) | 0.000 (3) |
C21 | 0.045 (3) | 0.031 (3) | 0.033 (3) | −0.001 (3) | 0.002 (2) | 0.001 (2) |
P22 | 0.0455 (8) | 0.0270 (7) | 0.0272 (7) | −0.0011 (6) | 0.0023 (6) | 0.0000 (6) |
C23 | 0.051 (3) | 0.027 (3) | 0.033 (3) | −0.002 (3) | −0.001 (3) | −0.002 (2) |
C24 | 0.057 (4) | 0.037 (3) | 0.034 (3) | −0.004 (3) | 0.002 (3) | 0.000 (3) |
C25 | 0.065 (4) | 0.042 (4) | 0.045 (4) | −0.001 (3) | −0.004 (3) | 0.016 (3) |
C26 | 0.053 (4) | 0.037 (4) | 0.053 (4) | 0.002 (3) | −0.010 (3) | 0.011 (3) |
C27 | 0.049 (4) | 0.040 (3) | 0.051 (4) | 0.001 (3) | 0.000 (3) | −0.001 (3) |
C28 | 0.050 (4) | 0.036 (3) | 0.039 (3) | −0.001 (3) | 0.005 (3) | 0.001 (3) |
C29 | 0.053 (4) | 0.026 (3) | 0.029 (3) | 0.002 (3) | 0.003 (3) | 0.002 (2) |
C30 | 0.056 (4) | 0.043 (4) | 0.038 (3) | 0.010 (3) | 0.004 (3) | −0.001 (3) |
C31 | 0.079 (5) | 0.050 (4) | 0.031 (3) | 0.015 (4) | 0.004 (3) | −0.008 (3) |
C32 | 0.086 (5) | 0.037 (4) | 0.042 (4) | 0.004 (3) | −0.013 (4) | −0.007 (3) |
C33 | 0.066 (4) | 0.048 (4) | 0.045 (4) | −0.013 (3) | −0.009 (3) | 0.003 (3) |
C34 | 0.061 (4) | 0.037 (3) | 0.033 (3) | −0.004 (3) | −0.002 (3) | 0.006 (3) |
P35 | 0.0461 (9) | 0.0420 (9) | 0.0269 (7) | 0.0008 (7) | 0.0003 (6) | −0.0070 (6) |
C36 | 0.055 (4) | 0.050 (4) | 0.033 (3) | −0.005 (3) | 0.010 (3) | −0.012 (3) |
C37 | 0.059 (4) | 0.054 (4) | 0.034 (3) | −0.017 (3) | 0.004 (3) | 0.000 (3) |
C38 | 0.068 (5) | 0.088 (6) | 0.034 (4) | −0.028 (4) | 0.003 (3) | −0.008 (4) |
C39 | 0.095 (6) | 0.076 (6) | 0.056 (5) | −0.032 (5) | 0.027 (5) | −0.038 (4) |
C40 | 0.088 (6) | 0.069 (5) | 0.077 (6) | −0.001 (5) | 0.015 (5) | −0.042 (5) |
C41 | 0.070 (5) | 0.057 (5) | 0.065 (5) | 0.002 (4) | 0.010 (4) | −0.032 (4) |
C42 | 0.043 (3) | 0.055 (4) | 0.027 (3) | 0.000 (3) | 0.001 (2) | −0.012 (3) |
C43 | 0.050 (4) | 0.060 (4) | 0.029 (3) | 0.002 (3) | 0.004 (3) | −0.004 (3) |
C44 | 0.066 (5) | 0.076 (5) | 0.046 (4) | −0.011 (4) | 0.010 (3) | 0.005 (4) |
C45 | 0.054 (5) | 0.109 (7) | 0.051 (4) | −0.013 (5) | 0.017 (4) | −0.014 (5) |
C46 | 0.045 (4) | 0.097 (6) | 0.060 (5) | 0.006 (4) | 0.011 (4) | −0.023 (5) |
C47 | 0.051 (4) | 0.069 (5) | 0.047 (4) | 0.004 (4) | 0.001 (3) | −0.007 (3) |
C48 | 0.051 (4) | 0.042 (3) | 0.028 (3) | 0.003 (3) | 0.000 (3) | −0.008 (2) |
P49 | 0.0412 (8) | 0.0354 (8) | 0.0255 (7) | −0.0025 (6) | 0.0009 (6) | −0.0022 (6) |
C50 | 0.044 (3) | 0.039 (3) | 0.028 (3) | −0.002 (3) | 0.001 (2) | 0.002 (2) |
C51 | 0.056 (4) | 0.047 (4) | 0.036 (3) | −0.003 (3) | 0.007 (3) | −0.001 (3) |
C52 | 0.061 (4) | 0.052 (4) | 0.045 (4) | −0.011 (3) | 0.016 (3) | 0.004 (3) |
C53 | 0.052 (4) | 0.057 (4) | 0.051 (4) | −0.021 (3) | 0.005 (3) | 0.001 (3) |
C54 | 0.058 (4) | 0.062 (4) | 0.040 (3) | −0.020 (3) | 0.000 (3) | −0.013 (3) |
C55 | 0.050 (4) | 0.051 (4) | 0.033 (3) | −0.007 (3) | 0.004 (3) | −0.006 (3) |
C56 | 0.037 (3) | 0.042 (3) | 0.027 (3) | −0.007 (3) | −0.005 (2) | 0.001 (2) |
C57 | 0.051 (4) | 0.040 (3) | 0.034 (3) | −0.001 (3) | −0.006 (3) | 0.000 (3) |
C58 | 0.073 (5) | 0.042 (4) | 0.043 (4) | −0.012 (3) | −0.012 (3) | 0.008 (3) |
C59 | 0.063 (4) | 0.066 (5) | 0.035 (3) | −0.024 (4) | −0.003 (3) | 0.014 (3) |
C60 | 0.050 (4) | 0.067 (5) | 0.032 (3) | −0.008 (3) | 0.003 (3) | −0.004 (3) |
C61 | 0.045 (3) | 0.044 (3) | 0.028 (3) | 0.000 (3) | 0.003 (2) | 0.000 (3) |
C62 | 0.125 (5) | 0.126 (4) | 0.125 (5) | −0.002 (3) | 0.017 (3) | 0.001 (3) |
Cl63 | 0.125 (4) | 0.126 (3) | 0.123 (4) | −0.007 (3) | 0.007 (3) | 0.006 (3) |
Cl64 | 0.108 (3) | 0.071 (3) | 0.080 (3) | 0.038 (2) | 0.004 (2) | 0.006 (2) |
Ru1—N2 | 2.254 (5) | C33—H33 | 0.9500 |
Ru1—N5 | 2.220 (6) | C33—C34 | 1.398 (8) |
Ru1—P8 | 2.3050 (15) | C34—H34 | 0.9500 |
Ru1—P22 | 2.3455 (15) | P35—C36 | 1.825 (6) |
Ru1—P35 | 2.3446 (16) | P35—C42 | 1.821 (6) |
Ru1—P49 | 2.3099 (15) | P35—C48 | 1.855 (6) |
N2—N3 | 0.847 (7) | C36—C37 | 1.388 (9) |
N3—N4 | 1.330 (10) | C36—C41 | 1.386 (10) |
N5—N6 | 0.823 (7) | C37—H37 | 0.9500 |
N6—N7 | 1.336 (11) | C37—C38 | 1.394 (9) |
P8—C9 | 1.840 (6) | C38—H38 | 0.9500 |
P8—C15 | 1.830 (6) | C38—C39 | 1.384 (12) |
P8—C21 | 1.842 (6) | C39—H39 | 0.9500 |
C9—C10 | 1.387 (8) | C39—C40 | 1.366 (12) |
C9—C14 | 1.392 (8) | C40—H40 | 0.9500 |
C10—H10 | 0.9500 | C40—C41 | 1.373 (10) |
C10—C11 | 1.402 (8) | C41—H41 | 0.9500 |
C11—H11 | 0.9500 | C42—C43 | 1.377 (9) |
C11—C12 | 1.368 (10) | C42—C47 | 1.409 (9) |
C12—H12 | 0.9500 | C43—H43 | 0.9500 |
C12—C13 | 1.372 (10) | C43—C44 | 1.390 (9) |
C13—H13 | 0.9500 | C44—H44 | 0.9500 |
C13—C14 | 1.384 (8) | C44—C45 | 1.377 (11) |
C14—H14 | 0.9500 | C45—H45 | 0.9500 |
C15—C16 | 1.394 (8) | C45—C46 | 1.385 (12) |
C15—C20 | 1.404 (8) | C46—H46 | 0.9500 |
C16—H16 | 0.9500 | C46—C47 | 1.368 (10) |
C16—C17 | 1.393 (8) | C47—H47 | 0.9500 |
C17—H17 | 0.9500 | C48—H48A | 0.9900 |
C17—C18 | 1.364 (9) | C48—H48B | 0.9900 |
C18—H18 | 0.9500 | C48—P49 | 1.856 (6) |
C18—C19 | 1.394 (10) | P49—C50 | 1.835 (6) |
C19—H19 | 0.9500 | P49—C56 | 1.834 (5) |
C19—C20 | 1.385 (8) | C50—C51 | 1.402 (8) |
C20—H20 | 0.9500 | C50—C55 | 1.392 (8) |
C21—H21A | 0.9900 | C51—H51 | 0.9500 |
C21—H21B | 0.9900 | C51—C52 | 1.376 (9) |
C21—P22 | 1.848 (6) | C52—H52 | 0.9500 |
P22—C23 | 1.821 (6) | C52—C53 | 1.371 (9) |
P22—C29 | 1.831 (6) | C53—H53 | 0.9500 |
C23—C24 | 1.391 (8) | C53—C54 | 1.374 (9) |
C23—C28 | 1.401 (8) | C54—H54 | 0.9500 |
C24—H24 | 0.9500 | C54—C55 | 1.383 (9) |
C24—C25 | 1.391 (9) | C55—H55 | 0.9500 |
C25—H25 | 0.9500 | C56—C57 | 1.395 (8) |
C25—C26 | 1.371 (9) | C56—C61 | 1.383 (8) |
C26—H26 | 0.9500 | C57—H57 | 0.9500 |
C26—C27 | 1.380 (9) | C57—C58 | 1.366 (9) |
C27—H27 | 0.9500 | C58—H58 | 0.9500 |
C27—C28 | 1.390 (8) | C58—C59 | 1.378 (10) |
C28—H28 | 0.9500 | C59—H59 | 0.9500 |
C29—C30 | 1.386 (8) | C59—C60 | 1.390 (10) |
C29—C34 | 1.391 (8) | C60—H60 | 0.9500 |
C30—H30 | 0.9500 | C60—C61 | 1.391 (8) |
C30—C31 | 1.391 (9) | C61—H61 | 0.9500 |
C31—H31 | 0.9500 | C62—H62A | 0.9900 |
C31—C32 | 1.382 (10) | C62—H62B | 0.9900 |
C32—H32 | 0.9500 | C62—Cl63 | 1.711 (13) |
C32—C33 | 1.372 (10) | C62—Cl64 | 1.715 (16) |
N2—Ru1—N5 | 84.41 (19) | C32—C33—H33 | 119.6 |
N2—Ru1—P8 | 161.90 (15) | C32—C33—C34 | 120.7 (7) |
N2—Ru1—P22 | 90.18 (14) | H33—C33—C34 | 119.6 |
N2—Ru1—P35 | 97.07 (15) | C29—C34—C33 | 119.2 (6) |
N2—Ru1—P49 | 91.76 (16) | C29—C34—H34 | 120.4 |
N5—Ru1—P8 | 92.83 (14) | C33—C34—H34 | 120.4 |
N5—Ru1—P22 | 92.48 (15) | Ru1—P35—C36 | 124.1 (2) |
N5—Ru1—P35 | 94.81 (15) | Ru1—P35—C42 | 122.4 (2) |
N5—Ru1—P49 | 165.79 (15) | Ru1—P35—C48 | 94.94 (18) |
P8—Ru1—P22 | 72.03 (5) | C36—P35—C42 | 100.6 (3) |
P8—Ru1—P35 | 100.99 (6) | C36—P35—C48 | 106.4 (3) |
P8—Ru1—P49 | 94.93 (5) | C42—P35—C48 | 106.1 (3) |
P22—Ru1—P35 | 170.18 (5) | P35—C36—C37 | 119.3 (5) |
P22—Ru1—P49 | 101.24 (5) | P35—C36—C41 | 121.4 (5) |
P35—Ru1—P49 | 72.03 (5) | C37—C36—C41 | 119.3 (6) |
Ru1—N2—N3 | 130.7 (7) | C36—C37—H37 | 120.5 |
N2—N3—N4 | 174.9 (10) | C36—C37—C38 | 119.1 (7) |
Ru1—N5—N6 | 137.9 (8) | H37—C37—C38 | 120.5 |
N5—N6—N7 | 176.9 (11) | C37—C38—H38 | 119.8 |
Ru1—P8—C9 | 126.82 (19) | C37—C38—C39 | 120.4 (7) |
Ru1—P8—C15 | 117.71 (19) | H38—C38—C39 | 119.8 |
Ru1—P8—C21 | 95.99 (18) | C38—C39—H39 | 119.9 |
C9—P8—C15 | 103.1 (3) | C38—C39—C40 | 120.2 (7) |
C9—P8—C21 | 105.5 (3) | H39—C39—C40 | 119.9 |
C15—P8—C21 | 104.6 (3) | C39—C40—H40 | 120.1 |
P8—C9—C10 | 121.8 (4) | C39—C40—C41 | 119.8 (8) |
P8—C9—C14 | 119.4 (4) | H40—C40—C41 | 120.1 |
C10—C9—C14 | 118.8 (5) | C36—C41—C40 | 121.2 (8) |
C9—C10—H10 | 120.2 | C36—C41—H41 | 119.4 |
C9—C10—C11 | 119.6 (6) | C40—C41—H41 | 119.4 |
H10—C10—C11 | 120.2 | P35—C42—C43 | 119.7 (5) |
C10—C11—H11 | 119.7 | P35—C42—C47 | 121.4 (5) |
C10—C11—C12 | 120.6 (6) | C43—C42—C47 | 118.9 (6) |
H11—C11—C12 | 119.7 | C42—C43—H43 | 119.9 |
C11—C12—H12 | 119.9 | C42—C43—C44 | 120.3 (6) |
C11—C12—C13 | 120.2 (6) | H43—C43—C44 | 119.9 |
H12—C12—C13 | 119.9 | C43—C44—H44 | 119.8 |
C12—C13—H13 | 120.1 | C43—C44—C45 | 120.4 (7) |
C12—C13—C14 | 119.9 (6) | H44—C44—C45 | 119.8 |
H13—C13—C14 | 120.1 | C44—C45—H45 | 120.2 |
C9—C14—C13 | 121.0 (6) | C44—C45—C46 | 119.5 (7) |
C9—C14—H14 | 119.5 | H45—C45—C46 | 120.2 |
C13—C14—H14 | 119.5 | C45—C46—H46 | 119.7 |
P8—C15—C16 | 121.4 (4) | C45—C46—C47 | 120.6 (7) |
P8—C15—C20 | 120.0 (4) | H46—C46—C47 | 119.7 |
C16—C15—C20 | 118.4 (5) | C42—C47—C46 | 120.2 (7) |
C15—C16—H16 | 119.8 | C42—C47—H47 | 119.9 |
C15—C16—C17 | 120.4 (6) | C46—C47—H47 | 119.9 |
H16—C16—C17 | 119.8 | P35—C48—H48A | 112.7 |
C16—C17—H17 | 119.5 | P35—C48—H48B | 112.7 |
C16—C17—C18 | 120.9 (6) | P35—C48—P49 | 95.1 (3) |
H17—C17—C18 | 119.5 | H48A—C48—H48B | 110.2 |
C17—C18—H18 | 120.3 | H48A—C48—P49 | 112.7 |
C17—C18—C19 | 119.5 (6) | H48B—C48—P49 | 112.7 |
H18—C18—C19 | 120.3 | Ru1—P49—C48 | 96.06 (18) |
C18—C19—H19 | 119.8 | Ru1—P49—C50 | 117.71 (19) |
C18—C19—C20 | 120.4 (6) | Ru1—P49—C56 | 125.16 (19) |
H19—C19—C20 | 119.8 | C48—P49—C50 | 104.6 (3) |
C15—C20—C19 | 120.3 (6) | C48—P49—C56 | 106.4 (3) |
C15—C20—H20 | 119.8 | C50—P49—C56 | 104.2 (2) |
C19—C20—H20 | 119.8 | P49—C50—C51 | 119.1 (4) |
P8—C21—H21A | 112.6 | P49—C50—C55 | 122.5 (4) |
P8—C21—H21B | 112.6 | C51—C50—C55 | 118.2 (5) |
P8—C21—P22 | 95.7 (3) | C50—C51—H51 | 119.8 |
H21A—C21—H21B | 110.1 | C50—C51—C52 | 120.4 (6) |
H21A—C21—P22 | 112.6 | H51—C51—C52 | 119.8 |
H21B—C21—P22 | 112.6 | C51—C52—H52 | 119.5 |
Ru1—P22—C21 | 94.46 (18) | C51—C52—C53 | 121.0 (6) |
Ru1—P22—C23 | 122.48 (19) | H52—C52—C53 | 119.5 |
Ru1—P22—C29 | 123.4 (2) | C52—C53—H53 | 120.4 |
C21—P22—C23 | 106.1 (3) | C52—C53—C54 | 119.1 (6) |
C21—P22—C29 | 107.0 (3) | H53—C53—C54 | 120.4 |
C23—P22—C29 | 101.1 (3) | C53—C54—H54 | 119.4 |
P22—C23—C24 | 120.0 (5) | C53—C54—C55 | 121.1 (6) |
P22—C23—C28 | 120.9 (4) | H54—C54—C55 | 119.4 |
C24—C23—C28 | 119.0 (5) | C50—C55—C54 | 120.1 (6) |
C23—C24—H24 | 120.3 | C50—C55—H55 | 120.0 |
C23—C24—C25 | 119.5 (6) | C54—C55—H55 | 120.0 |
H24—C24—C25 | 120.3 | P49—C56—C57 | 122.2 (4) |
C24—C25—H25 | 119.4 | P49—C56—C61 | 118.9 (4) |
C24—C25—C26 | 121.2 (6) | C57—C56—C61 | 118.8 (5) |
H25—C25—C26 | 119.4 | C56—C57—H57 | 119.7 |
C25—C26—H26 | 120.0 | C56—C57—C58 | 120.5 (6) |
C25—C26—C27 | 120.0 (6) | H57—C57—C58 | 119.7 |
H26—C26—C27 | 120.0 | C57—C58—H58 | 119.8 |
C26—C27—H27 | 120.2 | C57—C58—C59 | 120.4 (6) |
C26—C27—C28 | 119.7 (6) | H58—C58—C59 | 119.8 |
H27—C27—C28 | 120.2 | C58—C59—H59 | 119.8 |
C23—C28—C27 | 120.6 (6) | C58—C59—C60 | 120.4 (6) |
C23—C28—H28 | 119.7 | H59—C59—C60 | 119.8 |
C27—C28—H28 | 119.7 | C59—C60—H60 | 120.6 |
P22—C29—C30 | 121.6 (5) | C59—C60—C61 | 118.8 (6) |
P22—C29—C34 | 118.7 (4) | H60—C60—C61 | 120.6 |
C30—C29—C34 | 119.7 (5) | C56—C61—C60 | 121.0 (6) |
C29—C30—H30 | 119.7 | C56—C61—H61 | 119.5 |
C29—C30—C31 | 120.5 (6) | C60—C61—H61 | 119.5 |
H30—C30—C31 | 119.7 | H62A—C62—H62B | 108.8 |
C30—C31—H31 | 120.2 | H62A—C62—Cl63 | 110.7 |
C30—C31—C32 | 119.6 (6) | H62A—C62—Cl64 | 110.7 |
H31—C31—C32 | 120.2 | H62B—C62—Cl63 | 110.7 |
C31—C32—H32 | 119.9 | H62B—C62—Cl64 | 110.7 |
C31—C32—C33 | 120.2 (6) | Cl63—C62—Cl64 | 105.3 (12) |
H32—C32—C33 | 119.9 | ||
N5—Ru1—N2—N3 | 17.1 (10) | C30—C31—C32—C33 | 0.1 (10) |
P8—Ru1—N2—N3 | 99.1 (10) | C31—C32—C33—C34 | 0.6 (10) |
P22—Ru1—N2—N3 | 109.6 (10) | P22—C29—C34—C33 | 177.1 (5) |
P35—Ru1—N2—N3 | −77.1 (10) | C30—C29—C34—C33 | −0.6 (9) |
P49—Ru1—N2—N3 | −149.2 (10) | C32—C33—C34—C29 | −0.3 (10) |
N2—Ru1—N5—N6 | −96.6 (11) | N2—Ru1—P35—C36 | 147.3 (3) |
P8—Ru1—N5—N6 | 101.3 (11) | N2—Ru1—P35—C42 | 13.5 (3) |
P22—Ru1—N5—N6 | 173.4 (11) | N2—Ru1—P35—C48 | −99.1 (3) |
P35—Ru1—N5—N6 | 0.0 (11) | N5—Ru1—P35—C36 | 62.4 (3) |
P49—Ru1—N5—N6 | −21.7 (15) | N5—Ru1—P35—C42 | −71.5 (3) |
N2—Ru1—P8—C9 | 135.0 (5) | N5—Ru1—P35—C48 | 176.0 (2) |
N2—Ru1—P8—C15 | −89.4 (5) | P8—Ru1—P35—C36 | −31.4 (3) |
N2—Ru1—P8—C21 | 20.5 (5) | P8—Ru1—P35—C42 | −165.3 (2) |
N5—Ru1—P8—C9 | −144.4 (3) | P8—Ru1—P35—C48 | 82.1 (2) |
N5—Ru1—P8—C15 | −8.8 (3) | P49—Ru1—P35—C36 | −123.1 (3) |
N5—Ru1—P8—C21 | 101.1 (2) | P49—Ru1—P35—C42 | 103.0 (2) |
P22—Ru1—P8—C9 | 123.9 (2) | P49—Ru1—P35—C48 | −9.5 (2) |
P22—Ru1—P8—C15 | −100.5 (2) | Ru1—P35—C36—C37 | −36.9 (6) |
P22—Ru1—P8—C21 | 9.44 (18) | Ru1—P35—C36—C41 | 144.0 (5) |
P35—Ru1—P8—C9 | −48.9 (2) | C42—P35—C36—C37 | 104.9 (5) |
P35—Ru1—P8—C15 | 86.7 (2) | C42—P35—C36—C41 | −74.3 (6) |
P35—Ru1—P8—C21 | −163.42 (18) | C48—P35—C36—C37 | −144.7 (5) |
P49—Ru1—P8—C9 | 23.7 (2) | C48—P35—C36—C41 | 36.1 (6) |
P49—Ru1—P8—C15 | 159.3 (2) | P35—C36—C37—C38 | −177.8 (5) |
P49—Ru1—P8—C21 | −90.79 (19) | C41—C36—C37—C38 | 1.4 (9) |
Ru1—P8—C9—C10 | −124.0 (4) | C36—C37—C38—C39 | −0.9 (10) |
Ru1—P8—C9—C14 | 56.3 (5) | C37—C38—C39—C40 | −0.6 (11) |
C15—P8—C9—C10 | 95.5 (5) | C38—C39—C40—C41 | 1.6 (13) |
C15—P8—C9—C14 | −84.2 (5) | C39—C40—C41—C36 | −1.0 (13) |
C21—P8—C9—C10 | −13.9 (5) | P35—C36—C41—C40 | 178.7 (6) |
C21—P8—C9—C14 | 166.3 (4) | C37—C36—C41—C40 | −0.5 (11) |
P8—C9—C10—C11 | 179.4 (4) | Ru1—P35—C42—C43 | 36.5 (5) |
C14—C9—C10—C11 | −0.8 (8) | Ru1—P35—C42—C47 | −145.9 (4) |
C9—C10—C11—C12 | 0.9 (9) | C36—P35—C42—C43 | −106.1 (5) |
C10—C11—C12—C13 | −1.3 (10) | C36—P35—C42—C47 | 71.4 (5) |
C11—C12—C13—C14 | 1.5 (9) | C48—P35—C42—C43 | 143.3 (5) |
C12—C13—C14—C9 | −1.4 (9) | C48—P35—C42—C47 | −39.2 (6) |
P8—C9—C14—C13 | −179.2 (4) | P35—C42—C43—C44 | 179.0 (5) |
C10—C9—C14—C13 | 1.1 (8) | C47—C42—C43—C44 | 1.4 (9) |
Ru1—P8—C15—C16 | −113.9 (5) | C42—C43—C44—C45 | 0.2 (10) |
Ru1—P8—C15—C20 | 61.1 (5) | C43—C44—C45—C46 | −2.1 (11) |
C9—P8—C15—C16 | 31.0 (6) | C44—C45—C46—C47 | 2.3 (11) |
C9—P8—C15—C20 | −154.1 (5) | C45—C46—C47—C42 | −0.8 (11) |
C21—P8—C15—C16 | 141.1 (5) | P35—C42—C47—C46 | −178.7 (5) |
C21—P8—C15—C20 | −43.9 (5) | C43—C42—C47—C46 | −1.1 (9) |
P8—C15—C16—C17 | 174.4 (5) | Ru1—P35—C48—P49 | 11.4 (2) |
C20—C15—C16—C17 | −0.7 (9) | C36—P35—C48—P49 | 139.1 (3) |
C15—C16—C17—C18 | −0.7 (10) | C42—P35—C48—P49 | −114.4 (3) |
C16—C17—C18—C19 | 1.6 (10) | P35—C48—P49—Ru1 | −11.5 (2) |
C17—C18—C19—C20 | −1.1 (10) | P35—C48—P49—C50 | 109.2 (3) |
C18—C19—C20—C15 | −0.3 (10) | P35—C48—P49—C56 | −140.9 (3) |
P8—C15—C20—C19 | −173.9 (5) | N2—Ru1—P49—C48 | 106.4 (2) |
C16—C15—C20—C19 | 1.2 (9) | N2—Ru1—P49—C50 | −3.6 (2) |
Ru1—P8—C21—P22 | −11.5 (2) | N2—Ru1—P49—C56 | −138.7 (3) |
C9—P8—C21—P22 | −142.4 (2) | N5—Ru1—P49—C48 | 32.4 (6) |
C15—P8—C21—P22 | 109.2 (3) | N5—Ru1—P49—C50 | −77.6 (6) |
P8—C21—P22—Ru1 | 11.2 (2) | N5—Ru1—P49—C56 | 147.3 (6) |
P8—C21—P22—C23 | −114.4 (3) | P8—Ru1—P49—C48 | −90.4 (2) |
P8—C21—P22—C29 | 138.2 (3) | P8—Ru1—P49—C50 | 159.6 (2) |
N2—Ru1—P22—C21 | 174.0 (2) | P8—Ru1—P49—C56 | 24.5 (2) |
N2—Ru1—P22—C23 | −73.6 (3) | P22—Ru1—P49—C48 | −163.1 (2) |
N2—Ru1—P22—C29 | 60.2 (3) | P22—Ru1—P49—C50 | 86.9 (2) |
N5—Ru1—P22—C21 | −101.6 (2) | P22—Ru1—P49—C56 | −48.1 (2) |
N5—Ru1—P22—C23 | 10.8 (3) | P35—Ru1—P49—C48 | 9.5 (2) |
N5—Ru1—P22—C29 | 144.7 (3) | P35—Ru1—P49—C50 | −100.5 (2) |
P8—Ru1—P22—C21 | −9.39 (18) | P35—Ru1—P49—C56 | 124.5 (2) |
P8—Ru1—P22—C23 | 102.9 (2) | Ru1—P49—C50—C51 | 62.1 (5) |
P8—Ru1—P22—C29 | −123.2 (2) | Ru1—P49—C50—C55 | −113.2 (5) |
P49—Ru1—P22—C21 | 82.19 (19) | C48—P49—C50—C51 | −43.0 (5) |
P49—Ru1—P22—C23 | −165.5 (2) | C48—P49—C50—C55 | 141.7 (5) |
P49—Ru1—P22—C29 | −31.6 (2) | C56—P49—C50—C51 | −154.5 (5) |
Ru1—P22—C23—C24 | 33.7 (5) | C56—P49—C50—C55 | 30.2 (6) |
Ru1—P22—C23—C28 | −149.4 (4) | P49—C50—C51—C52 | −175.1 (5) |
C21—P22—C23—C24 | 140.0 (5) | C55—C50—C51—C52 | 0.4 (9) |
C21—P22—C23—C28 | −43.2 (5) | C50—C51—C52—C53 | 1.3 (10) |
C29—P22—C23—C24 | −108.4 (5) | C51—C52—C53—C54 | −1.6 (11) |
C29—P22—C23—C28 | 68.4 (5) | C52—C53—C54—C55 | 0.0 (11) |
P22—C23—C24—C25 | 178.1 (5) | C53—C54—C55—C50 | 1.7 (11) |
C28—C23—C24—C25 | 1.2 (8) | P49—C50—C55—C54 | 173.4 (5) |
C23—C24—C25—C26 | −1.0 (9) | C51—C50—C55—C54 | −1.9 (9) |
C24—C25—C26—C27 | −0.3 (10) | Ru1—P49—C56—C57 | −118.2 (4) |
C25—C26—C27—C28 | 1.4 (10) | Ru1—P49—C56—C61 | 59.7 (5) |
C26—C27—C28—C23 | −1.2 (9) | C48—P49—C56—C57 | −8.2 (5) |
P22—C23—C28—C27 | −177.0 (5) | C48—P49—C56—C61 | 169.7 (4) |
C24—C23—C28—C27 | −0.1 (9) | C50—P49—C56—C57 | 102.0 (5) |
Ru1—P22—C29—C30 | 137.5 (4) | C50—P49—C56—C61 | −80.1 (5) |
Ru1—P22—C29—C34 | −40.2 (5) | P49—C56—C57—C58 | 176.1 (5) |
C21—P22—C29—C30 | 30.1 (5) | C61—C56—C57—C58 | −1.8 (9) |
C21—P22—C29—C34 | −147.6 (5) | C56—C57—C58—C59 | 0.8 (10) |
C23—P22—C29—C30 | −80.8 (5) | C57—C58—C59—C60 | 0.8 (10) |
C23—P22—C29—C34 | 101.5 (5) | C58—C59—C60—C61 | −1.2 (10) |
P22—C29—C30—C31 | −176.4 (5) | P49—C56—C61—C60 | −176.7 (4) |
C34—C29—C30—C31 | 1.3 (9) | C57—C56—C61—C60 | 1.3 (8) |
C29—C30—C31—C32 | −1.0 (9) | C59—C60—C61—C56 | 0.2 (9) |
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