Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806019179/cv2056sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806019179/cv2056Isup2.hkl |
CCDC reference: 610751
Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Ru(C10H8N2)2(C16H8N2)](PF6)2·2C4H10O | Z = 2 |
Mr = 1079.86 | F(000) = 1096 |
Triclinic, P1 | Dx = 1.544 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 11.617 (2) Å | Cell parameters from 7871 reflections |
b = 14.385 (3) Å | θ = 3.1–27.5° |
c = 14.388 (3) Å | µ = 0.50 mm−1 |
α = 84.413 (12)° | T = 120 K |
β = 79.423 (11)° | Block, orange |
γ = 80.166 (11)° | 0.31 × 0.22 × 0.07 mm |
V = 2323.4 (8) Å3 |
Rigaku Mercury CCD diffractometer | 10281 independent reflections |
Radiation source: Rotating Anode | 8528 reflections with I > 2σ(I) |
Graphite Monochromator monochromator | Rint = 0.065 |
Detector resolution: 14.6199 pixels mm-1 | θmax = 27.5°, θmin = 3.1° |
ω scans | h = −15→15 |
Absorption correction: multi-scan (Spek, 2003) | k = −17→18 |
Tmin = 0.861, Tmax = 0.966 | l = −15→18 |
23098 measured reflections |
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)] = 0.099 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.189 | H-atom parameters constrained |
S = 1.19 | w = 1/[σ2(Fo2) + (0.0264P)2 + 19.3492P] where P = (Fo2 + 2Fc2)/3 |
10281 reflections | (Δ/σ)max < 0.001 |
645 parameters | Δρmax = 0.80 e Å−3 |
0 restraints | Δρmin = −1.02 e Å−3 |
Experimental. Spectroscopic analysis, 1H NMR (CD3CN, δ): 8.71 (d, J = 1.8 Hz, 2H, phen-H2 and –H9), 8.52 (m, 2H, bpy-H6'), 8.50 (m, 2H, bpy-H6), 8.22 (s, 2H, phen-H5 and –H6), 8.10 (m, 2H, bpyH5'), 8.09 (d, J = 1.8 Hz, 2H, phen-H4 and –H7), 8.02 (m, 2H, bpyH5), 7.78 (m, 2H, bpyH3'), 7.57 (m, 2H, bpyH3), 7.45 (m, 2H, bpyH4'), 7.25 ((m, 2H, bpyH4), 3.77 (s, 2H, C≡C—H). |
Geometry. All e.s.d.'s 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 > 2σ(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) | |
C1 | 0.3500 (6) | 0.3443 (4) | 0.2622 (4) | 0.0192 (13) | |
H1 | 0.3981 | 0.3594 | 0.2036 | 0.023* | |
C2 | 0.3690 (6) | 0.3797 (5) | 0.3454 (5) | 0.0228 (14) | |
C3 | 0.3012 (7) | 0.3554 (5) | 0.4316 (5) | 0.0283 (15) | |
H3 | 0.3149 | 0.3767 | 0.4885 | 0.034* | |
C4 | 0.2136 (6) | 0.3000 (5) | 0.4346 (5) | 0.0262 (15) | |
C5 | 0.1380 (8) | 0.2734 (6) | 0.5187 (5) | 0.040 (2) | |
H5 | 0.1459 | 0.2951 | 0.5772 | 0.048* | |
C6 | 0.0538 (8) | 0.2173 (6) | 0.5181 (5) | 0.0377 (19) | |
H6 | 0.0028 | 0.2025 | 0.5752 | 0.045* | |
C7 | 0.0428 (6) | 0.1810 (5) | 0.4310 (5) | 0.0263 (15) | |
C8 | −0.0393 (6) | 0.1220 (5) | 0.4262 (5) | 0.0261 (15) | |
H8 | −0.0909 | 0.1044 | 0.4820 | 0.031* | |
C9 | −0.0455 (6) | 0.0891 (5) | 0.3399 (4) | 0.0199 (13) | |
C10 | 0.0289 (5) | 0.1228 (4) | 0.2579 (4) | 0.0178 (12) | |
H10 | 0.0229 | 0.1028 | 0.1982 | 0.021* | |
C11 | 0.1137 (6) | 0.2082 (4) | 0.3472 (4) | 0.0173 (12) | |
C12 | 0.2000 (5) | 0.2673 (4) | 0.3487 (4) | 0.0179 (12) | |
C13 | 0.4565 (7) | 0.4419 (5) | 0.3380 (5) | 0.0301 (16) | |
C14 | 0.5209 (8) | 0.4968 (7) | 0.3325 (6) | 0.047 (2) | |
H14 | 0.5735 | 0.5415 | 0.3280 | 0.057* | |
C15 | −0.1225 (6) | 0.0241 (5) | 0.3300 (5) | 0.0248 (14) | |
C16 | −0.1802 (8) | −0.0329 (6) | 0.3223 (6) | 0.0393 (19) | |
H16 | −0.2271 | −0.0792 | 0.3160 | 0.047* | |
C17 | −0.0091 (6) | 0.3850 (5) | 0.1889 (4) | 0.0206 (13) | |
H17 | −0.0415 | 0.3352 | 0.2276 | 0.025* | |
C18 | −0.0791 (6) | 0.4733 (5) | 0.1841 (5) | 0.0264 (15) | |
H18 | −0.1586 | 0.4835 | 0.2167 | 0.032* | |
C19 | −0.0286 (7) | 0.5461 (5) | 0.1299 (5) | 0.0316 (17) | |
H19 | −0.0727 | 0.6081 | 0.1275 | 0.038* | |
C20 | 0.0852 (6) | 0.5288 (5) | 0.0797 (5) | 0.0253 (14) | |
H20 | 0.1194 | 0.5783 | 0.0419 | 0.030* | |
C21 | 0.1493 (5) | 0.4379 (4) | 0.0849 (4) | 0.0160 (12) | |
C22 | 0.2692 (5) | 0.4106 (4) | 0.0329 (4) | 0.0143 (11) | |
C23 | 0.3310 (6) | 0.4725 (4) | −0.0296 (4) | 0.0191 (13) | |
H23 | 0.2964 | 0.5366 | −0.0398 | 0.023* | |
C24 | 0.4431 (6) | 0.4394 (5) | −0.0764 (4) | 0.0230 (14) | |
H24 | 0.4857 | 0.4801 | −0.1205 | 0.028* | |
C25 | 0.4930 (6) | 0.3461 (4) | −0.0583 (4) | 0.0188 (13) | |
H25 | 0.5705 | 0.3221 | −0.0891 | 0.023* | |
C26 | 0.4273 (5) | 0.2891 (4) | 0.0054 (4) | 0.0172 (12) | |
H26 | 0.4616 | 0.2253 | 0.0182 | 0.021* | |
C27 | 0.0683 (6) | 0.2137 (5) | 0.0020 (4) | 0.0194 (13) | |
H27 | 0.0280 | 0.2755 | 0.0148 | 0.023* | |
C28 | 0.0315 (6) | 0.1647 (5) | −0.0630 (5) | 0.0229 (14) | |
H28 | −0.0323 | 0.1927 | −0.0944 | 0.027* | |
C29 | 0.0897 (6) | 0.0740 (5) | −0.0812 (5) | 0.0280 (15) | |
H29 | 0.0668 | 0.0391 | −0.1257 | 0.034* | |
C30 | 0.1812 (6) | 0.0354 (5) | −0.0336 (4) | 0.0218 (13) | |
H30 | 0.2208 | −0.0271 | −0.0442 | 0.026* | |
C31 | 0.2157 (5) | 0.0874 (4) | 0.0296 (4) | 0.0159 (12) | |
C32 | 0.3124 (5) | 0.0531 (4) | 0.0830 (4) | 0.0154 (12) | |
C33 | 0.3805 (6) | −0.0360 (5) | 0.0760 (5) | 0.0247 (14) | |
H33 | 0.3651 | −0.0794 | 0.0359 | 0.030* | |
C34 | 0.4717 (6) | −0.0607 (5) | 0.1288 (5) | 0.0267 (15) | |
H34 | 0.5191 | −0.1214 | 0.1249 | 0.032* | |
C35 | 0.4929 (6) | 0.0027 (5) | 0.1861 (5) | 0.0259 (15) | |
H35 | 0.5546 | −0.0132 | 0.2227 | 0.031* | |
C36 | 0.4223 (5) | 0.0903 (5) | 0.1896 (4) | 0.0203 (13) | |
H36 | 0.4386 | 0.1351 | 0.2278 | 0.024* | |
N1 | 0.2674 (4) | 0.2909 (4) | 0.2630 (3) | 0.0147 (10) | |
N2 | 0.1058 (4) | 0.1802 (4) | 0.2602 (3) | 0.0157 (10) | |
N3 | 0.1020 (4) | 0.3667 (4) | 0.1414 (3) | 0.0156 (10) | |
N4 | 0.3170 (4) | 0.3196 (3) | 0.0503 (3) | 0.0128 (10) | |
N5 | 0.1588 (4) | 0.1767 (3) | 0.0476 (3) | 0.0142 (10) | |
N6 | 0.3319 (4) | 0.1151 (4) | 0.1416 (3) | 0.0155 (10) | |
Ru1 | 0.21516 (4) | 0.24057 (4) | 0.14948 (3) | 0.01287 (13) | |
P1 | 0.71901 (16) | 0.24049 (13) | 0.13812 (13) | 0.0231 (4) | |
F1 | 0.4494 (4) | 0.2674 (3) | 0.7423 (3) | 0.0381 (11) | |
F2 | 0.1717 (4) | 0.2725 (3) | 0.7425 (3) | 0.0341 (10) | |
F3A | 0.294 (3) | 0.364 (3) | 0.801 (3) | 0.115 (14) | 0.49 (5) |
F4A | 0.338 (3) | 0.329 (3) | 0.6460 (18) | 0.075 (10) | 0.49 (5) |
F5A | 0.3487 (15) | 0.1782 (16) | 0.692 (3) | 0.065 (8) | 0.49 (5) |
F6A | 0.3039 (16) | 0.212 (3) | 0.8440 (17) | 0.088 (12) | 0.49 (5) |
F3B | 0.2747 (18) | 0.3286 (18) | 0.8273 (10) | 0.046 (6) | 0.51 (5) |
F4B | 0.2939 (17) | 0.3643 (11) | 0.6740 (14) | 0.036 (4) | 0.51 (5) |
F5B | 0.3304 (14) | 0.2115 (18) | 0.6474 (15) | 0.045 (5) | 0.51 (5) |
F6B | 0.3090 (13) | 0.1746 (10) | 0.802 (2) | 0.047 (6) | 0.51 (5) |
P2 | 0.31073 (17) | 0.26990 (13) | 0.74220 (13) | 0.0270 (4) | |
F21 | 0.6105 (3) | 0.3256 (3) | 0.1376 (3) | 0.0311 (9) | |
F22 | 0.8285 (4) | 0.1559 (3) | 0.1352 (3) | 0.0330 (10) | |
F23 | 0.6396 (4) | 0.1820 (4) | 0.2162 (4) | 0.0497 (13) | |
F24 | 0.6741 (4) | 0.1949 (3) | 0.0575 (4) | 0.0466 (13) | |
F25 | 0.7986 (4) | 0.3001 (3) | 0.0607 (4) | 0.0454 (13) | |
F26 | 0.7631 (4) | 0.2849 (4) | 0.2195 (4) | 0.0501 (13) | |
C37 | 0.2895 (17) | 0.6883 (10) | 0.5115 (12) | 0.119 (6) | |
H37A | 0.2199 | 0.7021 | 0.5609 | 0.178* | |
H37B | 0.3318 | 0.6249 | 0.5252 | 0.178* | |
H37C | 0.2639 | 0.6912 | 0.4499 | 0.178* | |
C38 | 0.3736 (13) | 0.7628 (12) | 0.5089 (11) | 0.102 (5) | |
H38A | 0.3914 | 0.7660 | 0.5731 | 0.122* | |
H38B | 0.4492 | 0.7439 | 0.4659 | 0.122* | |
O1 | 0.3182 (7) | 0.8521 (7) | 0.4769 (6) | 0.077 (2) | |
C39 | 0.3917 (11) | 0.9243 (12) | 0.4743 (12) | 0.100 (5) | |
H39A | 0.4686 | 0.9072 | 0.4323 | 0.120* | |
H39B | 0.4072 | 0.9303 | 0.5386 | 0.120* | |
C40 | 0.3268 (13) | 1.0164 (10) | 0.4374 (8) | 0.087 (4) | |
H40A | 0.3002 | 1.0069 | 0.3787 | 0.130* | |
H40B | 0.3801 | 1.0638 | 0.4247 | 0.130* | |
H40C | 0.2580 | 1.0384 | 0.4848 | 0.130* | |
C41 | 0.1757 (10) | 0.8886 (8) | 0.2729 (8) | 0.071 (3) | |
H41A | 0.0923 | 0.8997 | 0.2654 | 0.106* | |
H41B | 0.2172 | 0.9361 | 0.2333 | 0.106* | |
H41C | 0.1810 | 0.8931 | 0.3395 | 0.106* | |
C42 | 0.2308 (9) | 0.7938 (7) | 0.2439 (7) | 0.051 (2) | |
H42A | 0.2414 | 0.7928 | 0.1741 | 0.062* | |
H42B | 0.3097 | 0.7770 | 0.2631 | 0.062* | |
O2 | 0.1580 (6) | 0.7284 (5) | 0.2868 (5) | 0.0546 (17) | |
C43 | 0.2030 (10) | 0.6353 (7) | 0.2611 (8) | 0.058 (3) | |
H43A | 0.2842 | 0.6160 | 0.2754 | 0.070* | |
H43B | 0.2057 | 0.6310 | 0.1925 | 0.070* | |
C44 | 0.1183 (10) | 0.5713 (7) | 0.3196 (7) | 0.060 (3) | |
H44A | 0.1264 | 0.5682 | 0.3865 | 0.089* | |
H44B | 0.1383 | 0.5077 | 0.2967 | 0.089* | |
H44C | 0.0364 | 0.5975 | 0.3129 | 0.089* |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.017 (3) | 0.018 (3) | 0.023 (3) | −0.006 (2) | −0.001 (2) | −0.001 (2) |
C2 | 0.018 (3) | 0.026 (4) | 0.027 (3) | −0.010 (3) | −0.006 (3) | 0.001 (3) |
C3 | 0.035 (4) | 0.032 (4) | 0.021 (3) | −0.009 (3) | −0.008 (3) | −0.003 (3) |
C4 | 0.023 (4) | 0.031 (4) | 0.027 (4) | −0.011 (3) | −0.002 (3) | −0.005 (3) |
C5 | 0.051 (5) | 0.054 (5) | 0.019 (4) | −0.021 (4) | −0.001 (3) | −0.006 (3) |
C6 | 0.046 (5) | 0.053 (5) | 0.016 (3) | −0.025 (4) | 0.006 (3) | −0.003 (3) |
C7 | 0.025 (4) | 0.034 (4) | 0.022 (3) | −0.011 (3) | −0.004 (3) | 0.000 (3) |
C8 | 0.026 (4) | 0.027 (4) | 0.025 (3) | −0.013 (3) | 0.004 (3) | 0.000 (3) |
C9 | 0.017 (3) | 0.019 (3) | 0.023 (3) | −0.009 (3) | 0.002 (2) | 0.000 (2) |
C10 | 0.019 (3) | 0.015 (3) | 0.022 (3) | −0.007 (2) | −0.002 (2) | −0.003 (2) |
C11 | 0.023 (3) | 0.015 (3) | 0.013 (3) | −0.002 (2) | −0.004 (2) | 0.000 (2) |
C12 | 0.017 (3) | 0.022 (3) | 0.013 (3) | −0.002 (2) | 0.002 (2) | 0.000 (2) |
C13 | 0.033 (4) | 0.036 (4) | 0.028 (4) | −0.017 (3) | −0.007 (3) | −0.007 (3) |
C14 | 0.049 (6) | 0.056 (6) | 0.042 (5) | −0.023 (5) | −0.008 (4) | 0.000 (4) |
C15 | 0.022 (3) | 0.026 (4) | 0.027 (3) | −0.012 (3) | 0.003 (3) | −0.004 (3) |
C16 | 0.041 (5) | 0.040 (5) | 0.039 (4) | −0.011 (4) | −0.005 (4) | −0.008 (4) |
C17 | 0.019 (3) | 0.017 (3) | 0.023 (3) | −0.001 (3) | −0.001 (3) | 0.000 (2) |
C18 | 0.018 (3) | 0.027 (4) | 0.029 (4) | 0.001 (3) | 0.002 (3) | 0.003 (3) |
C19 | 0.040 (4) | 0.018 (3) | 0.032 (4) | 0.008 (3) | −0.005 (3) | −0.001 (3) |
C20 | 0.027 (4) | 0.016 (3) | 0.031 (4) | −0.002 (3) | −0.001 (3) | −0.002 (3) |
C21 | 0.019 (3) | 0.010 (3) | 0.017 (3) | 0.003 (2) | −0.003 (2) | −0.002 (2) |
C22 | 0.016 (3) | 0.011 (3) | 0.016 (3) | −0.004 (2) | 0.000 (2) | −0.002 (2) |
C23 | 0.020 (3) | 0.015 (3) | 0.022 (3) | −0.002 (2) | −0.003 (2) | 0.003 (2) |
C24 | 0.021 (3) | 0.028 (4) | 0.020 (3) | −0.010 (3) | −0.001 (3) | 0.004 (3) |
C25 | 0.015 (3) | 0.020 (3) | 0.019 (3) | 0.000 (2) | −0.001 (2) | 0.002 (2) |
C26 | 0.015 (3) | 0.016 (3) | 0.020 (3) | −0.002 (2) | −0.001 (2) | −0.001 (2) |
C27 | 0.019 (3) | 0.021 (3) | 0.020 (3) | −0.002 (3) | −0.009 (2) | −0.001 (2) |
C28 | 0.012 (3) | 0.031 (4) | 0.027 (3) | −0.005 (3) | −0.005 (3) | −0.004 (3) |
C29 | 0.027 (4) | 0.036 (4) | 0.023 (3) | −0.006 (3) | −0.005 (3) | −0.010 (3) |
C30 | 0.023 (3) | 0.017 (3) | 0.024 (3) | −0.003 (3) | −0.002 (3) | −0.003 (2) |
C31 | 0.014 (3) | 0.016 (3) | 0.017 (3) | −0.005 (2) | 0.002 (2) | −0.005 (2) |
C32 | 0.016 (3) | 0.011 (3) | 0.018 (3) | −0.002 (2) | 0.002 (2) | 0.001 (2) |
C33 | 0.024 (4) | 0.018 (3) | 0.032 (4) | −0.002 (3) | −0.006 (3) | 0.000 (3) |
C34 | 0.022 (3) | 0.022 (4) | 0.031 (4) | 0.006 (3) | −0.001 (3) | 0.002 (3) |
C35 | 0.018 (3) | 0.025 (4) | 0.032 (4) | 0.006 (3) | −0.007 (3) | −0.002 (3) |
C36 | 0.015 (3) | 0.024 (3) | 0.021 (3) | −0.001 (3) | −0.004 (2) | 0.003 (3) |
N1 | 0.011 (2) | 0.018 (3) | 0.015 (2) | −0.004 (2) | 0.0007 (19) | −0.0041 (19) |
N2 | 0.012 (2) | 0.018 (3) | 0.016 (2) | −0.003 (2) | 0.0001 (19) | −0.002 (2) |
N3 | 0.016 (3) | 0.014 (3) | 0.016 (2) | −0.002 (2) | 0.0008 (19) | −0.0028 (19) |
N4 | 0.015 (2) | 0.009 (2) | 0.016 (2) | −0.0028 (19) | −0.0062 (19) | −0.0002 (18) |
N5 | 0.015 (3) | 0.014 (3) | 0.013 (2) | −0.003 (2) | −0.0016 (19) | 0.0004 (19) |
N6 | 0.013 (3) | 0.016 (3) | 0.015 (2) | 0.000 (2) | 0.0004 (19) | 0.0012 (19) |
Ru1 | 0.0106 (2) | 0.0114 (2) | 0.0160 (2) | −0.00099 (16) | −0.00154 (16) | −0.00088 (16) |
P1 | 0.0181 (8) | 0.0194 (8) | 0.0332 (10) | −0.0053 (6) | −0.0054 (7) | −0.0020 (7) |
F1 | 0.025 (2) | 0.037 (3) | 0.046 (3) | −0.0032 (19) | 0.0096 (19) | −0.006 (2) |
F2 | 0.030 (2) | 0.040 (3) | 0.030 (2) | 0.0034 (19) | −0.0058 (18) | −0.0076 (19) |
F3A | 0.056 (16) | 0.10 (2) | 0.21 (3) | 0.053 (13) | −0.073 (18) | −0.13 (2) |
F4A | 0.078 (17) | 0.12 (2) | 0.044 (11) | −0.063 (16) | −0.038 (11) | 0.045 (12) |
F5A | 0.042 (8) | 0.042 (10) | 0.12 (2) | 0.001 (7) | −0.008 (10) | −0.052 (12) |
F6A | 0.032 (7) | 0.18 (3) | 0.043 (11) | −0.019 (13) | −0.009 (7) | 0.062 (14) |
F3B | 0.021 (6) | 0.091 (16) | 0.030 (8) | 0.009 (8) | −0.009 (4) | −0.046 (7) |
F4B | 0.037 (8) | 0.030 (7) | 0.044 (8) | −0.015 (5) | −0.015 (6) | 0.018 (5) |
F5B | 0.016 (6) | 0.066 (11) | 0.055 (10) | −0.002 (6) | 0.010 (5) | −0.046 (8) |
F6B | 0.019 (5) | 0.033 (7) | 0.081 (15) | −0.002 (4) | −0.012 (8) | 0.030 (7) |
P2 | 0.0299 (10) | 0.0210 (9) | 0.0253 (9) | 0.0040 (7) | 0.0010 (7) | −0.0032 (7) |
F21 | 0.018 (2) | 0.025 (2) | 0.048 (3) | 0.0000 (17) | −0.0001 (18) | −0.0088 (18) |
F22 | 0.027 (2) | 0.024 (2) | 0.049 (3) | 0.0006 (18) | −0.014 (2) | 0.0013 (19) |
F23 | 0.032 (3) | 0.051 (3) | 0.064 (3) | −0.018 (2) | −0.005 (2) | 0.023 (3) |
F24 | 0.052 (3) | 0.031 (3) | 0.064 (3) | 0.015 (2) | −0.037 (3) | −0.023 (2) |
F25 | 0.032 (3) | 0.024 (2) | 0.064 (3) | 0.0048 (19) | 0.019 (2) | 0.012 (2) |
F26 | 0.034 (3) | 0.065 (4) | 0.060 (3) | −0.013 (2) | −0.012 (2) | −0.028 (3) |
C37 | 0.157 (17) | 0.070 (10) | 0.134 (14) | 0.029 (11) | −0.070 (13) | −0.029 (9) |
C38 | 0.072 (9) | 0.117 (13) | 0.091 (10) | 0.044 (9) | −0.012 (8) | 0.005 (9) |
O1 | 0.047 (5) | 0.104 (7) | 0.074 (5) | 0.003 (5) | −0.005 (4) | −0.009 (5) |
C39 | 0.033 (6) | 0.138 (14) | 0.128 (13) | −0.018 (8) | 0.005 (7) | −0.027 (11) |
C40 | 0.096 (10) | 0.098 (11) | 0.055 (7) | −0.013 (9) | 0.017 (7) | −0.011 (7) |
C41 | 0.055 (7) | 0.062 (7) | 0.071 (7) | 0.011 (5) | 0.021 (5) | 0.015 (6) |
C42 | 0.047 (6) | 0.052 (6) | 0.052 (5) | −0.016 (5) | 0.003 (4) | 0.004 (4) |
O2 | 0.054 (4) | 0.053 (4) | 0.052 (4) | 0.002 (3) | −0.004 (3) | −0.008 (3) |
C43 | 0.060 (7) | 0.051 (6) | 0.063 (6) | 0.004 (5) | −0.013 (5) | −0.017 (5) |
C44 | 0.076 (8) | 0.044 (6) | 0.059 (6) | −0.014 (5) | −0.005 (5) | −0.009 (5) |
C1—N1 | 1.326 (8) | C32—N6 | 1.356 (8) |
C1—C2 | 1.412 (9) | C32—C33 | 1.389 (9) |
C1—H1 | 0.9500 | C33—C34 | 1.392 (9) |
C2—C3 | 1.390 (9) | C33—H33 | 0.9500 |
C2—C13 | 1.448 (9) | C34—C35 | 1.368 (10) |
C3—C4 | 1.387 (10) | C34—H34 | 0.9500 |
C3—H3 | 0.9500 | C35—C36 | 1.381 (9) |
C4—C12 | 1.409 (9) | C35—H35 | 0.9500 |
C4—C5 | 1.421 (10) | C36—N6 | 1.342 (8) |
C5—C6 | 1.371 (11) | C36—H36 | 0.9500 |
C5—H5 | 0.9500 | N1—Ru1 | 2.075 (5) |
C6—C7 | 1.439 (9) | N2—Ru1 | 2.066 (5) |
C6—H6 | 0.9500 | N3—Ru1 | 2.057 (5) |
C7—C11 | 1.392 (9) | N4—Ru1 | 2.062 (5) |
C7—C8 | 1.395 (9) | N5—Ru1 | 2.060 (5) |
C8—C9 | 1.390 (9) | N6—Ru1 | 2.063 (5) |
C8—H8 | 0.9500 | P1—F26 | 1.588 (5) |
C9—C10 | 1.425 (8) | P1—F23 | 1.588 (5) |
C9—C15 | 1.432 (9) | P1—F25 | 1.593 (5) |
C10—N2 | 1.323 (8) | P1—F24 | 1.593 (5) |
C10—H10 | 0.9500 | P1—F22 | 1.601 (4) |
C11—N2 | 1.376 (7) | P1—F21 | 1.601 (4) |
C11—C12 | 1.425 (9) | F1—P2 | 1.605 (5) |
C12—N1 | 1.380 (7) | F2—P2 | 1.608 (5) |
C13—C14 | 1.166 (11) | F3A—P2 | 1.63 (3) |
C14—H14 | 0.9500 | F4A—P2 | 1.564 (17) |
C15—C16 | 1.170 (10) | F5A—P2 | 1.522 (15) |
C16—H16 | 0.9500 | F6A—P2 | 1.608 (16) |
C17—N3 | 1.340 (8) | F3B—P2 | 1.511 (16) |
C17—C18 | 1.389 (9) | F4B—P2 | 1.601 (15) |
C17—H17 | 0.9500 | F5B—P2 | 1.630 (13) |
C18—C19 | 1.390 (10) | F6B—P2 | 1.550 (16) |
C18—H18 | 0.9500 | C37—C38 | 1.56 (2) |
C19—C20 | 1.381 (10) | C37—H37A | 0.9800 |
C19—H19 | 0.9500 | C37—H37B | 0.9800 |
C20—C21 | 1.392 (8) | C37—H37C | 0.9800 |
C20—H20 | 0.9500 | C38—O1 | 1.409 (15) |
C21—N3 | 1.371 (8) | C38—H38A | 0.9900 |
C21—C22 | 1.463 (8) | C38—H38B | 0.9900 |
C22—N4 | 1.351 (7) | O1—C39 | 1.447 (16) |
C22—C23 | 1.393 (8) | C39—C40 | 1.508 (19) |
C23—C24 | 1.380 (9) | C39—H39A | 0.9900 |
C23—H23 | 0.9500 | C39—H39B | 0.9900 |
C24—C25 | 1.388 (9) | C40—H40A | 0.9800 |
C24—H24 | 0.9500 | C40—H40B | 0.9800 |
C25—C26 | 1.381 (8) | C40—H40C | 0.9800 |
C25—H25 | 0.9500 | C41—C42 | 1.469 (14) |
C26—N4 | 1.346 (8) | C41—H41A | 0.9800 |
C26—H26 | 0.9500 | C41—H41B | 0.9800 |
C27—N5 | 1.346 (8) | C41—H41C | 0.9800 |
C27—C28 | 1.389 (8) | C42—O2 | 1.395 (11) |
C27—H27 | 0.9500 | C42—H42A | 0.9900 |
C28—C29 | 1.388 (10) | C42—H42B | 0.9900 |
C28—H28 | 0.9500 | O2—C43 | 1.411 (11) |
C29—C30 | 1.378 (9) | C43—C44 | 1.543 (14) |
C29—H29 | 0.9500 | C43—H43A | 0.9900 |
C30—C31 | 1.384 (8) | C43—H43B | 0.9900 |
C30—H30 | 0.9500 | C44—H44A | 0.9800 |
C31—N5 | 1.366 (8) | C44—H44B | 0.9800 |
C31—C32 | 1.467 (8) | C44—H44C | 0.9800 |
N1—C1—C2 | 122.3 (6) | N5—Ru1—N6 | 78.6 (2) |
N1—C1—H1 | 118.8 | N4—Ru1—N6 | 97.15 (19) |
C2—C1—H1 | 118.8 | N3—Ru1—N2 | 94.8 (2) |
C3—C2—C1 | 118.9 (6) | N5—Ru1—N2 | 93.73 (19) |
C3—C2—C13 | 122.0 (6) | N4—Ru1—N2 | 171.1 (2) |
C1—C2—C13 | 119.1 (6) | N6—Ru1—N2 | 89.9 (2) |
C4—C3—C2 | 120.1 (6) | N3—Ru1—N1 | 87.0 (2) |
C4—C3—H3 | 120.0 | N5—Ru1—N1 | 173.1 (2) |
C2—C3—H3 | 120.0 | N4—Ru1—N1 | 93.36 (19) |
C3—C4—C12 | 117.7 (6) | N6—Ru1—N1 | 97.9 (2) |
C3—C4—C5 | 124.3 (7) | N2—Ru1—N1 | 80.26 (19) |
C12—C4—C5 | 118.0 (6) | F26—P1—F23 | 89.7 (3) |
C6—C5—C4 | 122.0 (7) | F26—P1—F25 | 89.7 (3) |
C6—C5—H5 | 119.0 | F23—P1—F25 | 179.3 (3) |
C4—C5—H5 | 119.0 | F26—P1—F24 | 179.2 (3) |
C5—C6—C7 | 120.0 (7) | F23—P1—F24 | 89.5 (3) |
C5—C6—H6 | 120.0 | F25—P1—F24 | 91.1 (3) |
C7—C6—H6 | 120.0 | F26—P1—F22 | 90.3 (3) |
C11—C7—C8 | 118.3 (6) | F23—P1—F22 | 91.1 (3) |
C11—C7—C6 | 119.0 (6) | F25—P1—F22 | 89.2 (2) |
C8—C7—C6 | 122.7 (6) | F24—P1—F22 | 89.4 (2) |
C9—C8—C7 | 119.9 (6) | F26—P1—F21 | 90.8 (3) |
C9—C8—H8 | 120.0 | F23—P1—F21 | 90.3 (3) |
C7—C8—H8 | 120.0 | F25—P1—F21 | 89.5 (2) |
C8—C9—C10 | 117.4 (6) | F24—P1—F21 | 89.4 (2) |
C8—C9—C15 | 123.3 (6) | F22—P1—F21 | 178.2 (3) |
C10—C9—C15 | 119.3 (6) | F3B—P2—F5A | 154.8 (14) |
N2—C10—C9 | 123.8 (6) | F3B—P2—F6B | 93.8 (11) |
N2—C10—H10 | 118.1 | F5A—P2—F6B | 61.2 (10) |
C9—C10—H10 | 118.1 | F3B—P2—F4A | 113.9 (15) |
N2—C11—C7 | 123.1 (6) | F5A—P2—F4A | 91.0 (11) |
N2—C11—C12 | 116.6 (5) | F6B—P2—F4A | 152.1 (12) |
C7—C11—C12 | 120.3 (6) | F3B—P2—F4B | 89.7 (10) |
N1—C12—C4 | 122.4 (6) | F5A—P2—F4B | 115.5 (12) |
N1—C12—C11 | 117.0 (5) | F6B—P2—F4B | 170.5 (10) |
C4—C12—C11 | 120.6 (6) | F4A—P2—F4B | 27.1 (13) |
C14—C13—C2 | 175.6 (9) | F3B—P2—F1 | 92.6 (8) |
C13—C14—H14 | 180.0 | F5A—P2—F1 | 85.7 (8) |
C16—C15—C9 | 176.3 (8) | F6B—P2—F1 | 92.4 (6) |
C15—C16—H16 | 180.0 | F4A—P2—F1 | 83.2 (10) |
N3—C17—C18 | 123.1 (6) | F4B—P2—F1 | 96.2 (7) |
N3—C17—H17 | 118.4 | F3B—P2—F6A | 64.1 (17) |
C18—C17—H17 | 118.4 | F5A—P2—F6A | 90.7 (11) |
C17—C18—C19 | 117.6 (6) | F6B—P2—F6A | 30.4 (11) |
C17—C18—H18 | 121.2 | F4A—P2—F6A | 170.6 (14) |
C19—C18—H18 | 121.2 | F4B—P2—F6A | 153.6 (15) |
C20—C19—C18 | 120.3 (6) | F1—P2—F6A | 87.7 (7) |
C20—C19—H19 | 119.9 | F3B—P2—F2 | 87.2 (8) |
C18—C19—H19 | 119.9 | F5A—P2—F2 | 94.4 (8) |
C19—C20—C21 | 119.2 (6) | F6B—P2—F2 | 87.5 (6) |
C19—C20—H20 | 120.4 | F4A—P2—F2 | 96.9 (10) |
C21—C20—H20 | 120.4 | F4B—P2—F2 | 83.8 (7) |
N3—C21—C20 | 120.8 (6) | F1—P2—F2 | 179.8 (3) |
N3—C21—C22 | 115.1 (5) | F6A—P2—F2 | 92.2 (7) |
C20—C21—C22 | 124.1 (6) | F3B—P2—F5B | 171.8 (11) |
N4—C22—C23 | 121.7 (5) | F5A—P2—F5B | 29.4 (8) |
N4—C22—C21 | 114.7 (5) | F6B—P2—F5B | 88.5 (8) |
C23—C22—C21 | 123.6 (5) | F4A—P2—F5B | 64.6 (11) |
C24—C23—C22 | 119.1 (6) | F4B—P2—F5B | 86.9 (9) |
C24—C23—H23 | 120.4 | F1—P2—F5B | 95.1 (6) |
C22—C23—H23 | 120.4 | F6A—P2—F5B | 118.8 (13) |
C23—C24—C25 | 119.4 (6) | F2—P2—F5B | 85.1 (6) |
C23—C24—H24 | 120.3 | F3B—P2—F3A | 23.6 (19) |
C25—C24—H24 | 120.3 | F5A—P2—F3A | 169.7 (15) |
C26—C25—C24 | 118.4 (6) | F6B—P2—F3A | 116.2 (14) |
C26—C25—H25 | 120.8 | F4A—P2—F3A | 90.9 (14) |
C24—C25—H25 | 120.8 | F4B—P2—F3A | 68.6 (16) |
N4—C26—C25 | 123.0 (6) | F1—P2—F3A | 84.5 (12) |
N4—C26—H26 | 118.5 | F6A—P2—F3A | 85.9 (14) |
C25—C26—H26 | 118.5 | F2—P2—F3A | 95.4 (11) |
N5—C27—C28 | 122.4 (6) | F5B—P2—F3A | 155.3 (15) |
N5—C27—H27 | 118.8 | C38—C37—H37A | 109.5 |
C28—C27—H27 | 118.8 | C38—C37—H37B | 109.5 |
C29—C28—C27 | 118.8 (6) | H37A—C37—H37B | 109.5 |
C29—C28—H28 | 120.6 | C38—C37—H37C | 109.5 |
C27—C28—H28 | 120.6 | H37A—C37—H37C | 109.5 |
C30—C29—C28 | 118.9 (6) | H37B—C37—H37C | 109.5 |
C30—C29—H29 | 120.6 | O1—C38—C37 | 109.4 (11) |
C28—C29—H29 | 120.6 | O1—C38—H38A | 109.8 |
C29—C30—C31 | 120.2 (6) | C37—C38—H38A | 109.8 |
C29—C30—H30 | 119.9 | O1—C38—H38B | 109.8 |
C31—C30—H30 | 119.9 | C37—C38—H38B | 109.8 |
N5—C31—C30 | 121.1 (6) | H38A—C38—H38B | 108.3 |
N5—C31—C32 | 114.5 (5) | C38—O1—C39 | 111.7 (11) |
C30—C31—C32 | 124.4 (6) | O1—C39—C40 | 108.1 (11) |
N6—C32—C33 | 121.1 (6) | O1—C39—H39A | 110.1 |
N6—C32—C31 | 115.2 (5) | C40—C39—H39A | 110.1 |
C33—C32—C31 | 123.7 (6) | O1—C39—H39B | 110.1 |
C32—C33—C34 | 119.0 (6) | C40—C39—H39B | 110.1 |
C32—C33—H33 | 120.5 | H39A—C39—H39B | 108.4 |
C34—C33—H33 | 120.5 | C39—C40—H40A | 109.5 |
C35—C34—C33 | 119.8 (6) | C39—C40—H40B | 109.5 |
C35—C34—H34 | 120.1 | H40A—C40—H40B | 109.5 |
C33—C34—H34 | 120.1 | C39—C40—H40C | 109.5 |
C34—C35—C36 | 118.4 (6) | H40A—C40—H40C | 109.5 |
C34—C35—H35 | 120.8 | H40B—C40—H40C | 109.5 |
C36—C35—H35 | 120.8 | C42—C41—H41A | 109.5 |
N6—C36—C35 | 123.1 (6) | C42—C41—H41B | 109.5 |
N6—C36—H36 | 118.5 | H41A—C41—H41B | 109.5 |
C35—C36—H36 | 118.5 | C42—C41—H41C | 109.5 |
C1—N1—C12 | 118.5 (5) | H41A—C41—H41C | 109.5 |
C1—N1—Ru1 | 128.9 (4) | H41B—C41—H41C | 109.5 |
C12—N1—Ru1 | 112.5 (4) | O2—C42—C41 | 109.1 (8) |
C10—N2—C11 | 117.4 (5) | O2—C42—H42A | 109.9 |
C10—N2—Ru1 | 129.4 (4) | C41—C42—H42A | 109.9 |
C11—N2—Ru1 | 113.2 (4) | O2—C42—H42B | 109.9 |
C17—N3—C21 | 118.9 (5) | C41—C42—H42B | 109.9 |
C17—N3—Ru1 | 125.9 (4) | H42A—C42—H42B | 108.3 |
C21—N3—Ru1 | 115.2 (4) | C42—O2—C43 | 112.9 (8) |
C26—N4—C22 | 118.3 (5) | O2—C43—C44 | 106.5 (8) |
C26—N4—Ru1 | 125.5 (4) | O2—C43—H43A | 110.4 |
C22—N4—Ru1 | 116.1 (4) | C44—C43—H43A | 110.4 |
C27—N5—C31 | 118.6 (5) | O2—C43—H43B | 110.4 |
C27—N5—Ru1 | 125.5 (4) | C44—C43—H43B | 110.4 |
C31—N5—Ru1 | 115.8 (4) | H43A—C43—H43B | 108.6 |
C36—N6—C32 | 118.6 (5) | C43—C44—H44A | 109.5 |
C36—N6—Ru1 | 125.7 (4) | C43—C44—H44B | 109.5 |
C32—N6—Ru1 | 115.7 (4) | H44A—C44—H44B | 109.5 |
N3—Ru1—N5 | 97.0 (2) | C43—C44—H44C | 109.5 |
N3—Ru1—N4 | 78.6 (2) | H44A—C44—H44C | 109.5 |
N5—Ru1—N4 | 92.98 (19) | H44B—C44—H44C | 109.5 |
N3—Ru1—N6 | 173.7 (2) | ||
N1—C1—C2—C3 | 1.9 (10) | C20—C21—N3—Ru1 | −174.7 (5) |
N1—C1—C2—C13 | −176.6 (6) | C22—C21—N3—Ru1 | 5.1 (6) |
C1—C2—C3—C4 | −2.3 (11) | C25—C26—N4—C22 | −0.9 (9) |
C13—C2—C3—C4 | 176.2 (7) | C25—C26—N4—Ru1 | −177.9 (4) |
C2—C3—C4—C12 | 2.4 (11) | C23—C22—N4—C26 | −0.1 (8) |
C2—C3—C4—C5 | −178.4 (8) | C21—C22—N4—C26 | −179.7 (5) |
C3—C4—C5—C6 | −179.0 (8) | C23—C22—N4—Ru1 | 177.3 (4) |
C12—C4—C5—C6 | 0.2 (13) | C21—C22—N4—Ru1 | −2.4 (6) |
C4—C5—C6—C7 | 2.1 (14) | C28—C27—N5—C31 | −0.5 (9) |
C5—C6—C7—C11 | −3.8 (12) | C28—C27—N5—Ru1 | −177.0 (5) |
C5—C6—C7—C8 | 178.6 (8) | C30—C31—N5—C27 | −0.3 (9) |
C11—C7—C8—C9 | 2.5 (11) | C32—C31—N5—C27 | −179.6 (5) |
C6—C7—C8—C9 | −179.9 (7) | C30—C31—N5—Ru1 | 176.4 (5) |
C7—C8—C9—C10 | −3.9 (10) | C32—C31—N5—Ru1 | −2.8 (6) |
C7—C8—C9—C15 | 176.3 (7) | C35—C36—N6—C32 | −3.5 (9) |
C8—C9—C10—N2 | 2.6 (10) | C35—C36—N6—Ru1 | 175.6 (5) |
C15—C9—C10—N2 | −177.6 (6) | C33—C32—N6—C36 | 3.1 (9) |
C8—C7—C11—N2 | 0.5 (10) | C31—C32—N6—C36 | −177.1 (5) |
C6—C7—C11—N2 | −177.2 (7) | C33—C32—N6—Ru1 | −176.1 (5) |
C8—C7—C11—C12 | −179.1 (6) | C31—C32—N6—Ru1 | 3.7 (6) |
C6—C7—C11—C12 | 3.2 (10) | C17—N3—Ru1—N5 | 86.4 (5) |
C3—C4—C12—N1 | −2.1 (10) | C21—N3—Ru1—N5 | −96.5 (4) |
C5—C4—C12—N1 | 178.6 (7) | C17—N3—Ru1—N4 | 178.1 (5) |
C3—C4—C12—C11 | 178.4 (6) | C21—N3—Ru1—N4 | −4.9 (4) |
C5—C4—C12—C11 | −0.8 (10) | C17—N3—Ru1—N2 | −7.9 (5) |
N2—C11—C12—N1 | 0.0 (8) | C21—N3—Ru1—N2 | 169.1 (4) |
C7—C11—C12—N1 | 179.6 (6) | C17—N3—Ru1—N1 | −87.9 (5) |
N2—C11—C12—C4 | 179.5 (6) | C21—N3—Ru1—N1 | 89.2 (4) |
C7—C11—C12—C4 | −0.9 (10) | C27—N5—Ru1—N3 | −4.3 (5) |
N3—C17—C18—C19 | −2.4 (10) | C31—N5—Ru1—N3 | 179.3 (4) |
C17—C18—C19—C20 | 3.0 (11) | C27—N5—Ru1—N4 | −83.1 (5) |
C18—C19—C20—C21 | −0.9 (11) | C31—N5—Ru1—N4 | 100.4 (4) |
C19—C20—C21—N3 | −2.0 (10) | C27—N5—Ru1—N6 | −179.8 (5) |
C19—C20—C21—C22 | 178.3 (6) | C31—N5—Ru1—N6 | 3.7 (4) |
N3—C21—C22—N4 | −1.8 (7) | C27—N5—Ru1—N2 | 91.0 (5) |
C20—C21—C22—N4 | 178.0 (6) | C31—N5—Ru1—N2 | −85.5 (4) |
N3—C21—C22—C23 | 178.6 (6) | C26—N4—Ru1—N3 | −179.0 (5) |
C20—C21—C22—C23 | −1.7 (10) | C22—N4—Ru1—N3 | 3.9 (4) |
N4—C22—C23—C24 | 1.3 (9) | C26—N4—Ru1—N5 | −82.5 (5) |
C21—C22—C23—C24 | −179.0 (6) | C22—N4—Ru1—N5 | 100.4 (4) |
C22—C23—C24—C25 | −1.7 (9) | C26—N4—Ru1—N6 | −3.6 (5) |
C23—C24—C25—C26 | 0.9 (9) | C22—N4—Ru1—N6 | 179.3 (4) |
C24—C25—C26—N4 | 0.5 (9) | C26—N4—Ru1—N1 | 94.8 (5) |
N5—C27—C28—C29 | 0.4 (10) | C22—N4—Ru1—N1 | −82.3 (4) |
C27—C28—C29—C30 | 0.5 (10) | C36—N6—Ru1—N5 | 176.8 (5) |
C28—C29—C30—C31 | −1.4 (10) | C32—N6—Ru1—N5 | −4.0 (4) |
C29—C30—C31—N5 | 1.3 (9) | C36—N6—Ru1—N4 | 85.2 (5) |
C29—C30—C31—C32 | −179.5 (6) | C32—N6—Ru1—N4 | −95.6 (4) |
N5—C31—C32—N6 | −0.6 (7) | C36—N6—Ru1—N2 | −89.3 (5) |
C30—C31—C32—N6 | −179.8 (6) | C32—N6—Ru1—N2 | 89.8 (4) |
N5—C31—C32—C33 | 179.2 (6) | C36—N6—Ru1—N1 | −9.2 (5) |
C30—C31—C32—C33 | 0.0 (10) | C32—N6—Ru1—N1 | 170.0 (4) |
N6—C32—C33—C34 | −1.4 (10) | C10—N2—Ru1—N3 | 96.5 (6) |
C31—C32—C33—C34 | 178.8 (6) | C11—N2—Ru1—N3 | −80.9 (4) |
C32—C33—C34—C35 | −0.1 (10) | C10—N2—Ru1—N5 | −0.8 (6) |
C33—C34—C35—C36 | −0.2 (10) | C11—N2—Ru1—N5 | −178.2 (4) |
C34—C35—C36—N6 | 2.0 (10) | C10—N2—Ru1—N6 | −79.3 (6) |
C2—C1—N1—C12 | −1.6 (9) | C11—N2—Ru1—N6 | 103.2 (4) |
C2—C1—N1—Ru1 | 174.6 (5) | C10—N2—Ru1—N1 | −177.4 (6) |
C4—C12—N1—C1 | 1.7 (9) | C11—N2—Ru1—N1 | 5.2 (4) |
C11—C12—N1—C1 | −178.8 (6) | C1—N1—Ru1—N3 | −86.2 (6) |
C4—C12—N1—Ru1 | −175.1 (5) | C12—N1—Ru1—N3 | 90.2 (4) |
C11—C12—N1—Ru1 | 4.4 (7) | C1—N1—Ru1—N4 | −7.8 (6) |
C9—C10—N2—C11 | 0.2 (9) | C12—N1—Ru1—N4 | 168.6 (4) |
C9—C10—N2—Ru1 | −177.1 (5) | C1—N1—Ru1—N6 | 89.9 (6) |
C7—C11—N2—C10 | −1.8 (9) | C12—N1—Ru1—N6 | −93.7 (4) |
C12—C11—N2—C10 | 177.8 (6) | C1—N1—Ru1—N2 | 178.5 (6) |
C7—C11—N2—Ru1 | 176.0 (5) | C12—N1—Ru1—N2 | −5.1 (4) |
C12—C11—N2—Ru1 | −4.4 (7) | C37—C38—O1—C39 | 179.3 (12) |
C18—C17—N3—C21 | −0.4 (9) | C38—O1—C39—C40 | 178.8 (11) |
C18—C17—N3—Ru1 | 176.6 (5) | C41—C42—O2—C43 | 178.7 (9) |
C20—C21—N3—C17 | 2.6 (9) | C42—O2—C43—C44 | 175.8 (8) |
C22—C21—N3—C17 | −177.6 (5) |
D—H···A | D—H | H···A | D···A | D—H···A |
C1—H1···F21 | 0.95 | 2.46 | 3.204 (7) | 135 |
C5—H5···F2 | 0.95 | 2.43 | 3.312 (8) | 154 |
C8—H8···O1i | 0.95 | 2.58 | 3.257 (10) | 129 |
C14—H14···F4Aii | 0.95 | 2.37 | 3.29 (3) | 163 |
C14—H14···F4Bii | 0.95 | 2.21 | 3.161 (19) | 174 |
C16—H16···F5Aiii | 0.95 | 2.19 | 3.143 (18) | 175 |
C16—H16···F5Biii | 0.95 | 2.39 | 3.30 (2) | 161 |
C17—H17···F26iv | 0.95 | 2.52 | 3.165 (8) | 125 |
C19—H19···F3Ai | 0.95 | 2.56 | 3.15 (3) | 120 |
C19—H19···F3Bi | 0.95 | 2.36 | 3.10 (2) | 134 |
C20—H20···F25v | 0.95 | 2.39 | 3.336 (8) | 177 |
C23—H23···F25v | 0.95 | 2.43 | 3.384 (8) | 178 |
C30—H30···F24vi | 0.95 | 2.52 | 3.467 (8) | 175 |
C33—H33···F24vi | 0.95 | 2.38 | 3.334 (8) | 177 |
C34—H34···F6Avii | 0.95 | 2.33 | 3.16 (3) | 145 |
C34—H34···F6Bvii | 0.95 | 2.40 | 3.056 (17) | 126 |
C36—H36···F23 | 0.95 | 2.51 | 3.138 (8) | 124 |
Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x, −y, −z+1; (iv) x−1, y, z; (v) −x+1, −y+1, −z; (vi) −x+1, −y, −z; (vii) −x+1, −y, −z+1. |