Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680302258X/bt6356sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680302258X/bt6356Isup2.hkl |
CCDC reference: 226654
Data collection: COLLECT (Nonius, 1999); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 1999); software used to prepare material for publication: local program.
[Ru(C12H20N4)(C18H15P)(CO)]Cl2·1.5CH2Cl2 | Z = 2 |
Mr = 809.96 | F(000) = 826 |
Triclinic, P1 | Dx = 1.509 Mg m−3 |
a = 9.8492 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.7740 (3) Å | Cell parameters from 34198 reflections |
c = 16.0631 (3) Å | θ = 3.2–26.0° |
α = 74.5472 (14)° | µ = 0.89 mm−1 |
β = 75.3838 (14)° | T = 150 K |
γ = 68.2566 (9)° | Plate, colourless |
V = 1782.47 (7) Å3 | 0.10 × 0.10 × 0.04 mm |
Nonius KappaCCD area detector diffractometer | 6960 independent reflections |
Radiation source: fine-focus sealed tube | 5492 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.088 |
area–detector scans | θmax = 26.0°, θmin = 3.2° |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | h = −12→12 |
Tmin = 0.916, Tmax = 0.965 | k = −15→15 |
34198 measured reflections | l = −19→19 |
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)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.105 | H-atom parameters constrained |
S = 1.08 | w = 1/[σ2(Fo2) + (0.0302P)2 + 2.9279P] where P = (Fo2 + 2Fc2)/3 |
6960 reflections | (Δ/σ)max < 0.001 |
406 parameters | Δρmax = 0.65 e Å−3 |
0 restraints | Δρmin = −0.75 e Å−3 |
Experimental. Detector set at 30 mm from sample with different 2theta offsets 1 degree phi exposures for chi=0 degree settings 1 degree omega exposures for chi=90 degree settings |
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 | 0.74875 (3) | 0.25654 (3) | 0.305498 (19) | 0.02453 (10) | |
Cl1 | 0.56658 (18) | 0.02619 (16) | 0.85493 (10) | 0.0781 (5) | |
Cl2 | 0.36622 (19) | 0.1398 (2) | 0.72944 (13) | 0.1097 (8) | |
Cl3 | 0.90445 (17) | 0.59680 (11) | 0.44704 (10) | 0.0644 (4) | |
Cl4 | 0.36061 (11) | 0.64514 (9) | 0.34459 (7) | 0.0394 (3) | |
Cl5 | 0.25847 (12) | 0.14239 (10) | 0.38265 (7) | 0.0442 (3) | |
P1 | 0.84993 (11) | 0.36039 (8) | 0.17403 (6) | 0.0272 (2) | |
O17 | 0.5305 (3) | 0.2650 (3) | 0.20096 (19) | 0.0423 (7) | |
N1 | 0.6587 (3) | 0.1667 (3) | 0.4263 (2) | 0.0271 (7) | |
N4 | 0.8963 (3) | 0.2470 (3) | 0.3891 (2) | 0.0279 (7) | |
H4 | 0.9901 | 0.2409 | 0.3559 | 0.033* | |
N7 | 0.6166 (3) | 0.3987 (3) | 0.3654 (2) | 0.0292 (7) | |
H7 | 0.5581 | 0.4536 | 0.3264 | 0.035* | |
N12 | 0.8702 (3) | 0.0839 (3) | 0.2930 (2) | 0.0281 (7) | |
C2 | 0.7493 (4) | 0.1376 (3) | 0.4969 (2) | 0.0309 (8) | |
H2A | 0.7545 | 0.0599 | 0.5315 | 0.037* | |
H2B | 0.7005 | 0.1930 | 0.5369 | 0.037* | |
C3 | 0.9051 (4) | 0.1413 (3) | 0.4576 (2) | 0.0302 (8) | |
H3A | 0.9548 | 0.1415 | 0.5040 | 0.036* | |
H3B | 0.9639 | 0.0726 | 0.4315 | 0.036* | |
C5 | 0.8407 (5) | 0.3520 (3) | 0.4286 (3) | 0.0327 (9) | |
H5A | 0.9244 | 0.3798 | 0.4236 | 0.039* | |
H5B | 0.8016 | 0.3318 | 0.4918 | 0.039* | |
C6 | 0.7189 (4) | 0.4480 (3) | 0.3843 (3) | 0.0312 (9) | |
H6A | 0.6626 | 0.5042 | 0.4231 | 0.037* | |
H6B | 0.7638 | 0.4886 | 0.3290 | 0.037* | |
C8 | 0.5165 (4) | 0.3620 (3) | 0.4477 (3) | 0.0322 (9) | |
H8A | 0.5553 | 0.3593 | 0.4997 | 0.039* | |
H8B | 0.4159 | 0.4195 | 0.4498 | 0.039* | |
C9 | 0.5069 (4) | 0.2458 (3) | 0.4512 (3) | 0.0320 (9) | |
H9A | 0.4631 | 0.2153 | 0.5111 | 0.038* | |
H9B | 0.4426 | 0.2526 | 0.4102 | 0.038* | |
C10 | 0.6585 (4) | 0.0601 (3) | 0.4047 (3) | 0.0302 (8) | |
H10A | 0.5786 | 0.0787 | 0.3709 | 0.036* | |
H10B | 0.6409 | 0.0049 | 0.4593 | 0.036* | |
C11 | 0.8065 (4) | 0.0086 (3) | 0.3516 (2) | 0.0275 (8) | |
C13 | 1.0049 (4) | 0.0398 (3) | 0.2455 (3) | 0.0304 (8) | |
H13 | 1.0514 | 0.0909 | 0.2052 | 0.037* | |
C14 | 1.0775 (5) | −0.0774 (4) | 0.2534 (3) | 0.0371 (10) | |
H14 | 1.1712 | −0.1053 | 0.2179 | 0.044* | |
C15 | 1.0141 (4) | −0.1536 (3) | 0.3127 (3) | 0.0369 (10) | |
H15 | 1.0631 | −0.2341 | 0.3190 | 0.044* | |
C16 | 0.8765 (5) | −0.1093 (3) | 0.3628 (3) | 0.0341 (9) | |
H16 | 0.8304 | −0.1596 | 0.4047 | 0.041* | |
C17 | 0.6118 (4) | 0.2627 (3) | 0.2419 (2) | 0.0307 (9) | |
C111 | 0.9623 (4) | 0.2731 (3) | 0.0915 (2) | 0.0304 (8) | |
C112 | 1.1099 (5) | 0.2635 (3) | 0.0567 (3) | 0.0365 (9) | |
H112 | 1.1567 | 0.3052 | 0.0743 | 0.044* | |
C113 | 1.1893 (5) | 0.1920 (4) | −0.0042 (3) | 0.0437 (11) | |
H113 | 1.2906 | 0.1846 | −0.0271 | 0.052* | |
C114 | 1.1227 (5) | 0.1327 (4) | −0.0312 (3) | 0.0446 (11) | |
H114 | 1.1781 | 0.0838 | −0.0720 | 0.053* | |
C115 | 0.9743 (5) | 0.1442 (4) | 0.0012 (3) | 0.0439 (11) | |
H115 | 0.9268 | 0.1059 | −0.0195 | 0.053* | |
C116 | 0.8953 (5) | 0.2117 (3) | 0.0638 (3) | 0.0354 (9) | |
H116 | 0.7952 | 0.2163 | 0.0880 | 0.042* | |
C121 | 0.9689 (4) | 0.4330 (3) | 0.1884 (2) | 0.0301 (8) | |
C122 | 1.0944 (4) | 0.3679 (3) | 0.2276 (2) | 0.0304 (8) | |
H122 | 1.1221 | 0.2865 | 0.2406 | 0.036* | |
C123 | 1.1781 (5) | 0.4211 (4) | 0.2476 (3) | 0.0397 (10) | |
H123 | 1.2625 | 0.3758 | 0.2743 | 0.048* | |
C124 | 1.1403 (5) | 0.5400 (4) | 0.2291 (3) | 0.0451 (11) | |
H124 | 1.1969 | 0.5763 | 0.2441 | 0.054* | |
C125 | 1.0187 (5) | 0.6048 (4) | 0.1883 (3) | 0.0398 (10) | |
H125 | 0.9936 | 0.6860 | 0.1740 | 0.048* | |
C126 | 0.9330 (5) | 0.5528 (4) | 0.1682 (3) | 0.0355 (9) | |
H126 | 0.8497 | 0.5986 | 0.1405 | 0.043* | |
C131 | 0.7148 (4) | 0.4754 (3) | 0.1118 (2) | 0.0299 (8) | |
C132 | 0.6002 (5) | 0.5554 (4) | 0.1548 (3) | 0.0448 (11) | |
H132 | 0.5913 | 0.5481 | 0.2162 | 0.054* | |
C133 | 0.4981 (5) | 0.6459 (4) | 0.1100 (3) | 0.0450 (11) | |
H133 | 0.4204 | 0.6995 | 0.1408 | 0.054* | |
C134 | 0.5092 (5) | 0.6584 (4) | 0.0206 (3) | 0.0395 (10) | |
H134 | 0.4390 | 0.7199 | −0.0102 | 0.047* | |
C135 | 0.6240 (5) | 0.5800 (4) | −0.0234 (3) | 0.0380 (10) | |
H135 | 0.6332 | 0.5880 | −0.0849 | 0.046* | |
C136 | 0.7263 (4) | 0.4893 (3) | 0.0220 (3) | 0.0337 (9) | |
H136 | 0.8048 | 0.4363 | −0.0090 | 0.040* | |
C1S | 0.5507 (5) | 0.0872 (5) | 0.7440 (3) | 0.0560 (13) | |
H1SA | 0.5934 | 0.1506 | 0.7242 | 0.067* | |
H1SB | 0.6081 | 0.0283 | 0.7075 | 0.067* | |
C2S | 0.9070 (11) | 0.5129 (9) | 0.5481 (6) | 0.051 (2) | 0.50 |
H2S1 | 0.8317 | 0.4740 | 0.5611 | 0.061* | 0.50 |
H2S2 | 0.8825 | 0.5608 | 0.5926 | 0.061* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1 | 0.02258 (16) | 0.02296 (16) | 0.02433 (16) | −0.00300 (11) | −0.00488 (11) | −0.00406 (11) |
Cl1 | 0.0689 (10) | 0.1012 (12) | 0.0581 (9) | −0.0337 (9) | −0.0095 (7) | 0.0022 (8) |
Cl2 | 0.0517 (9) | 0.194 (2) | 0.0884 (13) | −0.0371 (12) | −0.0229 (8) | −0.0299 (13) |
Cl3 | 0.0774 (10) | 0.0447 (7) | 0.0777 (9) | −0.0291 (7) | −0.0144 (7) | −0.0085 (6) |
Cl4 | 0.0340 (5) | 0.0388 (6) | 0.0343 (5) | 0.0046 (4) | −0.0076 (4) | −0.0109 (4) |
Cl5 | 0.0318 (5) | 0.0459 (6) | 0.0495 (6) | −0.0142 (5) | −0.0143 (5) | 0.0088 (5) |
P1 | 0.0270 (5) | 0.0241 (5) | 0.0254 (5) | −0.0026 (4) | −0.0049 (4) | −0.0042 (4) |
O17 | 0.0327 (16) | 0.056 (2) | 0.0403 (17) | −0.0115 (14) | −0.0145 (13) | −0.0088 (14) |
N1 | 0.0226 (16) | 0.0262 (16) | 0.0302 (17) | −0.0050 (13) | −0.0057 (13) | −0.0048 (13) |
N4 | 0.0271 (17) | 0.0267 (16) | 0.0250 (16) | −0.0048 (13) | −0.0025 (12) | −0.0046 (13) |
N7 | 0.0262 (17) | 0.0291 (17) | 0.0284 (17) | −0.0053 (14) | −0.0048 (13) | −0.0044 (13) |
N12 | 0.0256 (16) | 0.0278 (17) | 0.0296 (17) | −0.0056 (13) | −0.0074 (13) | −0.0053 (13) |
C2 | 0.029 (2) | 0.033 (2) | 0.025 (2) | −0.0073 (17) | −0.0055 (15) | −0.0004 (16) |
C3 | 0.031 (2) | 0.030 (2) | 0.026 (2) | −0.0054 (16) | −0.0086 (15) | −0.0008 (15) |
C5 | 0.034 (2) | 0.033 (2) | 0.035 (2) | −0.0125 (17) | −0.0062 (17) | −0.0107 (17) |
C6 | 0.035 (2) | 0.0260 (19) | 0.032 (2) | −0.0085 (17) | −0.0014 (16) | −0.0114 (16) |
C8 | 0.029 (2) | 0.035 (2) | 0.026 (2) | −0.0056 (17) | 0.0013 (15) | −0.0068 (16) |
C9 | 0.0240 (19) | 0.034 (2) | 0.031 (2) | −0.0036 (16) | 0.0000 (15) | −0.0077 (17) |
C10 | 0.029 (2) | 0.027 (2) | 0.034 (2) | −0.0107 (16) | −0.0058 (16) | −0.0034 (16) |
C11 | 0.0260 (19) | 0.0229 (18) | 0.032 (2) | −0.0050 (15) | −0.0083 (15) | −0.0041 (15) |
C13 | 0.025 (2) | 0.028 (2) | 0.032 (2) | −0.0035 (16) | −0.0034 (15) | −0.0061 (16) |
C14 | 0.028 (2) | 0.033 (2) | 0.044 (2) | −0.0002 (17) | −0.0085 (17) | −0.0093 (19) |
C15 | 0.031 (2) | 0.022 (2) | 0.056 (3) | −0.0005 (17) | −0.0153 (19) | −0.0097 (18) |
C16 | 0.035 (2) | 0.027 (2) | 0.040 (2) | −0.0095 (17) | −0.0104 (17) | −0.0025 (17) |
C17 | 0.029 (2) | 0.029 (2) | 0.026 (2) | −0.0047 (16) | −0.0012 (16) | −0.0022 (15) |
C111 | 0.033 (2) | 0.0243 (19) | 0.026 (2) | −0.0026 (16) | −0.0047 (16) | −0.0026 (15) |
C112 | 0.041 (2) | 0.032 (2) | 0.031 (2) | −0.0100 (18) | −0.0009 (17) | −0.0050 (17) |
C113 | 0.041 (3) | 0.033 (2) | 0.042 (3) | −0.0002 (19) | 0.0045 (19) | −0.0095 (19) |
C114 | 0.051 (3) | 0.031 (2) | 0.039 (2) | −0.003 (2) | 0.005 (2) | −0.0125 (19) |
C115 | 0.060 (3) | 0.033 (2) | 0.036 (2) | −0.008 (2) | −0.012 (2) | −0.0088 (19) |
C116 | 0.043 (2) | 0.030 (2) | 0.027 (2) | −0.0063 (18) | −0.0036 (17) | −0.0050 (16) |
C121 | 0.031 (2) | 0.028 (2) | 0.028 (2) | −0.0074 (16) | −0.0022 (15) | −0.0046 (16) |
C122 | 0.0240 (19) | 0.030 (2) | 0.030 (2) | −0.0067 (16) | −0.0009 (15) | −0.0015 (16) |
C123 | 0.029 (2) | 0.047 (3) | 0.040 (2) | −0.0133 (19) | −0.0028 (17) | −0.0045 (19) |
C124 | 0.046 (3) | 0.048 (3) | 0.048 (3) | −0.023 (2) | −0.005 (2) | −0.011 (2) |
C125 | 0.047 (3) | 0.032 (2) | 0.042 (2) | −0.016 (2) | −0.0083 (19) | −0.0047 (18) |
C126 | 0.041 (2) | 0.031 (2) | 0.030 (2) | −0.0077 (18) | −0.0089 (17) | −0.0023 (17) |
C131 | 0.031 (2) | 0.0250 (19) | 0.028 (2) | −0.0046 (16) | −0.0054 (15) | −0.0010 (15) |
C132 | 0.046 (3) | 0.039 (2) | 0.029 (2) | 0.005 (2) | −0.0041 (18) | −0.0046 (18) |
C133 | 0.036 (2) | 0.039 (2) | 0.043 (3) | 0.0065 (19) | −0.0099 (19) | −0.003 (2) |
C134 | 0.032 (2) | 0.037 (2) | 0.039 (2) | −0.0040 (18) | −0.0131 (18) | 0.0042 (18) |
C135 | 0.039 (2) | 0.043 (2) | 0.027 (2) | −0.0110 (19) | −0.0083 (17) | 0.0014 (17) |
C136 | 0.031 (2) | 0.033 (2) | 0.033 (2) | −0.0084 (17) | −0.0036 (16) | −0.0039 (17) |
C1S | 0.041 (3) | 0.073 (4) | 0.058 (3) | −0.023 (3) | −0.006 (2) | −0.016 (3) |
C2S | 0.042 (5) | 0.073 (7) | 0.050 (6) | −0.032 (5) | −0.002 (4) | −0.020 (5) |
Ru1—C17 | 1.855 (4) | C13—H13 | 0.9500 |
Ru1—N7 | 2.113 (3) | C14—C15 | 1.379 (6) |
Ru1—N12 | 2.120 (3) | C14—H14 | 0.9500 |
Ru1—N1 | 2.136 (3) | C15—C16 | 1.389 (6) |
Ru1—N4 | 2.167 (3) | C15—H15 | 0.9500 |
Ru1—P1 | 2.3743 (10) | C16—H16 | 0.9500 |
Cl1—C1S | 1.766 (5) | C111—C112 | 1.391 (6) |
Cl2—C1S | 1.742 (5) | C111—C116 | 1.403 (6) |
Cl3—C2S | 1.691 (10) | C112—C113 | 1.402 (6) |
Cl3—C2Si | 1.872 (10) | C112—H112 | 0.9500 |
P1—C121 | 1.828 (4) | C113—C114 | 1.370 (7) |
P1—C111 | 1.833 (4) | C113—H113 | 0.9500 |
P1—C131 | 1.835 (4) | C114—C115 | 1.388 (7) |
O17—C17 | 1.146 (5) | C114—H114 | 0.9500 |
N1—C9 | 1.487 (5) | C115—C116 | 1.389 (6) |
N1—C10 | 1.493 (5) | C115—H115 | 0.9500 |
N1—C2 | 1.504 (5) | C116—H116 | 0.9500 |
N4—C3 | 1.487 (5) | C121—C126 | 1.402 (5) |
N4—C5 | 1.496 (5) | C121—C122 | 1.403 (5) |
N4—H4 | 0.9300 | C122—C123 | 1.382 (6) |
N7—C6 | 1.495 (5) | C122—H122 | 0.9500 |
N7—C8 | 1.515 (5) | C123—C124 | 1.389 (6) |
N7—H7 | 0.9300 | C123—H123 | 0.9500 |
N12—C13 | 1.351 (5) | C124—C125 | 1.386 (6) |
N12—C11 | 1.367 (5) | C124—H124 | 0.9500 |
C2—C3 | 1.518 (5) | C125—C126 | 1.388 (6) |
C2—H2A | 0.9900 | C125—H125 | 0.9500 |
C2—H2B | 0.9900 | C126—H126 | 0.9500 |
C3—H3A | 0.9900 | C131—C136 | 1.386 (5) |
C3—H3B | 0.9900 | C131—C132 | 1.387 (5) |
C5—C6 | 1.525 (5) | C132—C133 | 1.388 (6) |
C5—H5A | 0.9900 | C132—H132 | 0.9500 |
C5—H5B | 0.9900 | C133—C134 | 1.382 (6) |
C6—H6A | 0.9900 | C133—H133 | 0.9500 |
C6—H6B | 0.9900 | C134—C135 | 1.384 (6) |
C8—C9 | 1.507 (6) | C134—H134 | 0.9500 |
C8—H8A | 0.9900 | C135—C136 | 1.395 (6) |
C8—H8B | 0.9900 | C135—H135 | 0.9500 |
C9—H9A | 0.9900 | C136—H136 | 0.9500 |
C9—H9B | 0.9900 | C1S—H1SA | 0.9900 |
C10—C11 | 1.499 (5) | C1S—H1SB | 0.9900 |
C10—H10A | 0.9900 | C2S—Cl3i | 1.872 (10) |
C10—H10B | 0.9900 | C2S—H2S1 | 0.9900 |
C11—C16 | 1.388 (5) | C2S—H2S2 | 0.9900 |
C13—C14 | 1.386 (5) | ||
C17—Ru1—N7 | 97.24 (15) | H10A—C10—H10B | 108.4 |
C17—Ru1—N12 | 91.32 (15) | N12—C11—C16 | 121.9 (4) |
N7—Ru1—N12 | 159.36 (12) | N12—C11—C10 | 116.6 (3) |
C17—Ru1—N1 | 95.92 (14) | C16—C11—C10 | 121.5 (4) |
N7—Ru1—N1 | 81.26 (12) | N12—C13—C14 | 122.3 (4) |
N12—Ru1—N1 | 79.20 (12) | N12—C13—H13 | 118.9 |
C17—Ru1—N4 | 175.49 (14) | C14—C13—H13 | 118.9 |
N7—Ru1—N4 | 80.64 (12) | C15—C14—C13 | 120.1 (4) |
N12—Ru1—N4 | 89.42 (11) | C15—C14—H14 | 119.9 |
N1—Ru1—N4 | 79.84 (12) | C13—C14—H14 | 119.9 |
C17—Ru1—P1 | 85.55 (12) | C14—C15—C16 | 118.1 (4) |
N7—Ru1—P1 | 97.28 (9) | C14—C15—H15 | 120.9 |
N12—Ru1—P1 | 102.10 (9) | C16—C15—H15 | 120.9 |
N1—Ru1—P1 | 178.03 (9) | C11—C16—C15 | 119.8 (4) |
N4—Ru1—P1 | 98.65 (9) | C11—C16—H16 | 120.1 |
C2S—Cl3—C2Si | 70.5 (5) | C15—C16—H16 | 120.1 |
C121—P1—C111 | 105.06 (18) | O17—C17—Ru1 | 178.1 (4) |
C121—P1—C131 | 103.39 (18) | C112—C111—C116 | 119.1 (4) |
C111—P1—C131 | 101.83 (17) | C112—C111—P1 | 123.4 (3) |
C121—P1—Ru1 | 114.82 (13) | C116—C111—P1 | 117.6 (3) |
C111—P1—Ru1 | 114.32 (13) | C111—C112—C113 | 119.7 (4) |
C131—P1—Ru1 | 115.84 (13) | C111—C112—H112 | 120.1 |
C9—N1—C10 | 112.9 (3) | C113—C112—H112 | 120.1 |
C9—N1—C2 | 110.6 (3) | C114—C113—C112 | 120.8 (4) |
C10—N1—C2 | 110.7 (3) | C114—C113—H113 | 119.6 |
C9—N1—Ru1 | 105.1 (2) | C112—C113—H113 | 119.6 |
C10—N1—Ru1 | 104.9 (2) | C113—C114—C115 | 119.9 (4) |
C2—N1—Ru1 | 112.4 (2) | C113—C114—H114 | 120.1 |
C3—N4—C5 | 111.5 (3) | C115—C114—H114 | 120.1 |
C3—N4—Ru1 | 107.2 (2) | C114—C115—C116 | 120.0 (4) |
C5—N4—Ru1 | 110.7 (2) | C114—C115—H115 | 120.0 |
C3—N4—H4 | 109.1 | C116—C115—H115 | 120.0 |
C5—N4—H4 | 109.1 | C115—C116—C111 | 120.4 (4) |
Ru1—N4—H4 | 109.1 | C115—C116—H116 | 119.8 |
C6—N7—C8 | 112.0 (3) | C111—C116—H116 | 119.8 |
C6—N7—Ru1 | 107.5 (2) | C126—C121—C122 | 118.3 (4) |
C8—N7—Ru1 | 110.4 (2) | C126—C121—P1 | 122.3 (3) |
C6—N7—H7 | 109.0 | C122—C121—P1 | 119.2 (3) |
C8—N7—H7 | 109.0 | C123—C122—C121 | 120.6 (4) |
Ru1—N7—H7 | 109.0 | C123—C122—H122 | 119.7 |
C13—N12—C11 | 117.8 (3) | C121—C122—H122 | 119.7 |
C13—N12—Ru1 | 129.7 (3) | C122—C123—C124 | 120.9 (4) |
C11—N12—Ru1 | 111.9 (2) | C122—C123—H123 | 119.6 |
N1—C2—C3 | 110.9 (3) | C124—C123—H123 | 119.6 |
N1—C2—H2A | 109.5 | C125—C124—C123 | 118.9 (4) |
C3—C2—H2A | 109.5 | C125—C124—H124 | 120.6 |
N1—C2—H2B | 109.5 | C123—C124—H124 | 120.6 |
C3—C2—H2B | 109.5 | C124—C125—C126 | 121.0 (4) |
H2A—C2—H2B | 108.0 | C124—C125—H125 | 119.5 |
N4—C3—C2 | 109.1 (3) | C126—C125—H125 | 119.5 |
N4—C3—H3A | 109.9 | C125—C126—C121 | 120.3 (4) |
C2—C3—H3A | 109.9 | C125—C126—H126 | 119.9 |
N4—C3—H3B | 109.9 | C121—C126—H126 | 119.9 |
C2—C3—H3B | 109.9 | C136—C131—C132 | 118.0 (4) |
H3A—C3—H3B | 108.3 | C136—C131—P1 | 122.6 (3) |
N4—C5—C6 | 112.3 (3) | C132—C131—P1 | 119.3 (3) |
N4—C5—H5A | 109.2 | C131—C132—C133 | 121.4 (4) |
C6—C5—H5A | 109.2 | C131—C132—H132 | 119.3 |
N4—C5—H5B | 109.2 | C133—C132—H132 | 119.3 |
C6—C5—H5B | 109.2 | C134—C133—C132 | 120.3 (4) |
H5A—C5—H5B | 107.9 | C134—C133—H133 | 119.9 |
N7—C6—C5 | 109.7 (3) | C132—C133—H133 | 119.9 |
N7—C6—H6A | 109.7 | C133—C134—C135 | 119.0 (4) |
C5—C6—H6A | 109.7 | C133—C134—H134 | 120.5 |
N7—C6—H6B | 109.7 | C135—C134—H134 | 120.5 |
C5—C6—H6B | 109.7 | C134—C135—C136 | 120.4 (4) |
H6A—C6—H6B | 108.2 | C134—C135—H135 | 119.8 |
C9—C8—N7 | 111.7 (3) | C136—C135—H135 | 119.8 |
C9—C8—H8A | 109.3 | C131—C136—C135 | 120.9 (4) |
N7—C8—H8A | 109.3 | C131—C136—H136 | 119.6 |
C9—C8—H8B | 109.3 | C135—C136—H136 | 119.6 |
N7—C8—H8B | 109.3 | Cl2—C1S—Cl1 | 111.3 (3) |
H8A—C8—H8B | 107.9 | Cl2—C1S—H1SA | 109.4 |
N1—C9—C8 | 108.8 (3) | Cl1—C1S—H1SA | 109.4 |
N1—C9—H9A | 109.9 | Cl2—C1S—H1SB | 109.4 |
C8—C9—H9A | 109.9 | Cl1—C1S—H1SB | 109.4 |
N1—C9—H9B | 109.9 | H1SA—C1S—H1SB | 108.0 |
C8—C9—H9B | 109.9 | Cl3—C2S—Cl3i | 109.5 (5) |
H9A—C9—H9B | 108.3 | Cl3—C2S—H2S1 | 109.8 |
N1—C10—C11 | 108.1 (3) | Cl3i—C2S—H2S1 | 109.8 |
N1—C10—H10A | 110.1 | Cl3—C2S—H2S2 | 109.8 |
C11—C10—H10A | 110.1 | Cl3i—C2S—H2S2 | 109.8 |
N1—C10—H10B | 110.1 | H2S1—C2S—H2S2 | 108.2 |
C11—C10—H10B | 110.1 |
Symmetry code: (i) −x+2, −y+1, −z+1. |