
Supporting information
![]() | Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229624007083/nh3002sup1.cif |
![]() | Structure factor file (CIF format) https://doi.org/10.1107/S2053229624007083/nh3002Isup2.hkl |
![]() | Structure factor file (CIF format) https://doi.org/10.1107/S2053229624007083/nh3002joer349sup3.hkl |
![]() | Portable Document Format (PDF) file https://doi.org/10.1107/S2053229624007083/nh3002sup4.pdf |
CCDC references: 2371918; 2371919
[Ru(C33H16F10N4)(CO)2] | Z = 4 |
Mr = 815.7 | F(000) = 546.628 |
Triclinic, P1 | Cell measurements were performed by merging two datasets from two different
crystals. Crystal 1 exptl_crystal_size_max 0.0022 exptl_crystal_size_mid 0.0020 exptl_crystal_size_min 0.0008 Crystal 2 exptl_crystal_size_max 0.0025 exptl_crystal_size_mid 0.0021 exptl_crystal_size_min 0.0010 |
Hall symbol: -P 1 | Dx = 1.748 Mg m−3 |
a = 9.567 (2) Å | Electron radiation, λ = 0.02851 Å |
b = 15.341 (3) Å | Cell parameters from 4199 reflections |
c = 21.282 (4) Å | θ = 0.04–0.9° |
α = 92.30 (3)° | µ = 0 mm−1 |
β = 90.83 (3)° | T = 298 K |
γ = 96.64 (3)° | Wedge-shaped, red |
V = 3099.3 (11) Å3 | 0.003 × 0.003 × 0.0002 mm |
Eldico ED-1 diffractometer | 3581 reflections with I > 3σ(I) |
Radiation source: LaB6 | Rint = 0 |
Detector resolution: 13.33 pixels mm-1 | θmax = 0.8°, θmin = 0.1° |
continuous rotation 3D ED scans | h = −7→7 |
16012 measured reflections | k = −14→15 |
7176 independent reflections | l = −21→21 |
Refinement on F | 128 constraints |
R[F2 > 2σ(F2)] = 0.099 | Primary atom site location: structure-invariant direct methods |
wR(F2) = 0.104 | H-atom parameters constrained |
S = 1.93 | Weighting scheme based on measured s.u.'s w = 1/[σ2(Fo) + (0.01P)2] where P = (Fo + 2Fc)/3 |
12815 reflections | (Δ/σ)max = 0.010 |
474 parameters | Δρmax = 0.39 e Å−3 |
24 restraints | Δρmin = −0.36 e Å−3 |
Experimental. Continuous rotation electron diffraction using the software ELDIX (Eldico 2023). Tilt step 0.5 degree. Diffraction exposure 1 s per frame. Hybrid-pixel direct electron detector, 512x512 pixels. reference: Eldico (2023). Eldix, Version 4.3.1. Eldico Scientific AG, Villigen, Switzerland. |
Refinement. Structure refined by dynamical refinement. Hence, no R_int available. Dynamical refinement settings: gmax = 1.20 RSg = 0.66 DSg = 0.00 Nsteps = 100 Calculated intensities based on dynamical theory of electron diffraction. Number of individual data sets in refinement: 2 Block Thickness Nobs Nall Robs Rall wRall 1 2198.70 3581 7176 0.0959 0.1254 0.1010 2 1847.24 1660 5639 0.1013 0.1772 0.1125 Thickness given in Angstrom. Refinement statistics relevant for the non-linear least-squares minimisation of wR(all): Number of reflections in refinement (obs/all): 5244 / 12815 Number of reflections present more than once: Number of reflections unique in point group 1: 11028 Robs: 0.0993 Rall: 0.1603 wRall: 0.1041 Post-refinement analysis of symmetrically-equivalent reflections: Number of unique reflections (obs/all): 2777 / 5687 MRobs: 0.0877 MRall: 0.1300 MwRall: 0.0886 Instead of Δρmax, Δρmin (e Å-3) in electron diffraction, we report residual electrostatic potential: ΔV(r)max: 1.29 e Å ΔV(r)min: -1.20 e Å |
x | y | z | Uiso*/Ueq | ||
C1 | 0.5057 (11) | 0.7120 (10) | 0.4622 (5) | 0.071 (4)* | |
C2 | 0.5332 (12) | 0.6239 (9) | 0.4577 (5) | 0.078 (4)* | |
C3 | 0.4129 (10) | 0.5690 (9) | 0.4339 (4) | 0.069 (3)* | |
C4 | 0.3114 (10) | 0.6287 (8) | 0.4237 (4) | 0.044 (3)* | |
C5 | 0.1733 (9) | 0.6009 (7) | 0.4021 (4) | 0.035 (3)* | |
C6 | 0.0711 (9) | 0.6570 (7) | 0.3922 (4) | 0.030 (3)* | |
C7 | −0.0704 (10) | 0.6317 (9) | 0.3795 (4) | 0.051 (3)* | |
C8 | −0.1403 (12) | 0.7065 (8) | 0.3804 (4) | 0.057 (3)* | |
C9 | −0.0343 (10) | 0.7798 (9) | 0.3905 (4) | 0.052 (3)* | |
C10 | −0.0674 (9) | 0.8723 (7) | 0.3975 (4) | 0.040 (3)* | |
C11 | −0.1958 (8) | 0.8816 (7) | 0.3573 (4) | 0.058 (3)* | |
C12 | −0.1005 (10) | 0.8911 (8) | 0.4662 (4) | 0.074 (4)* | |
C13 | 0.0547 (10) | 0.9340 (8) | 0.3762 (4) | 0.046 (3)* | |
C14 | 0.0436 (11) | 1.0174 (8) | 0.3484 (4) | 0.064 (3)* | |
C15 | 0.1760 (10) | 1.0500 (9) | 0.3250 (4) | 0.061 (3)* | |
C16 | 0.2650 (10) | 0.9841 (8) | 0.3384 (4) | 0.048 (3)* | |
C17 | 0.3822 (11) | 0.9635 (8) | 0.3008 (5) | 0.051 (3)* | |
C18 | 0.4253 (10) | 0.8797 (8) | 0.2946 (4) | 0.045 (3)* | |
C19 | 0.5277 (10) | 0.8566 (8) | 0.2473 (5) | 0.062 (4)* | |
C20 | 0.5279 (10) | 0.7650 (9) | 0.2539 (5) | 0.059 (3)* | |
C21 | 0.4345 (9) | 0.7342 (9) | 0.3025 (4) | 0.057 (3)* | |
C34 | 0.2300 (11) | 0.8450 (9) | 0.4980 (5) | 0.065 (4)* | |
C35 | 0.4472 (10) | 0.9016 (8) | 0.4376 (4) | 0.053 (3)* | |
C36 | 0.9278 (12) | 0.5194 (8) | 0.0832 (5) | 0.079 (4)* | |
C37 | 0.9420 (13) | 0.4448 (9) | 0.1213 (5) | 0.085 (4)* | |
C38 | 0.8295 (11) | 0.4230 (9) | 0.1559 (5) | 0.077 (4)* | |
C39 | 0.7341 (11) | 0.4928 (9) | 0.1456 (5) | 0.062 (3)* | |
C40 | 0.6031 (11) | 0.4949 (9) | 0.1747 (5) | 0.064 (3)* | |
C41 | 0.5142 (12) | 0.5576 (9) | 0.1593 (5) | 0.067 (4)* | |
C42 | 0.3684 (12) | 0.5529 (9) | 0.1814 (5) | 0.088 (4)* | |
C43 | 0.3093 (13) | 0.6157 (9) | 0.1504 (5) | 0.086 (4)* | |
C44 | 0.4103 (11) | 0.6595 (9) | 0.1126 (5) | 0.066 (4)* | |
C45 | 0.3941 (11) | 0.7238 (9) | 0.0687 (5) | 0.071 (4)* | |
C46 | 0.2633 (13) | 0.7722 (11) | 0.0895 (6) | 0.130 (6)* | |
C47 | 0.3512 (12) | 0.6889 (9) | 0.0040 (5) | 0.107 (5)* | |
C48 | 0.5138 (11) | 0.8008 (9) | 0.0668 (4) | 0.057 (3)* | |
C49 | 0.5104 (12) | 0.8898 (9) | 0.0635 (5) | 0.079 (4)* | |
C50 | 0.6466 (11) | 0.9300 (10) | 0.0726 (5) | 0.081 (4)* | |
C51 | 0.7304 (10) | 0.8630 (8) | 0.0867 (4) | 0.048 (3)* | |
C52 | 0.8550 (10) | 0.8761 (8) | 0.1219 (4) | 0.046 (3)* | |
C53 | 0.9013 (9) | 0.8087 (8) | 0.1579 (4) | 0.037 (3)* | |
C54 | 1.0164 (9) | 0.8197 (8) | 0.2063 (4) | 0.047 (3)* | |
C55 | 1.0210 (9) | 0.7407 (8) | 0.2322 (4) | 0.048 (3)* | |
C56 | 0.9114 (8) | 0.6821 (8) | 0.2050 (4) | 0.049 (3)* | |
C69 | 0.8856 (11) | 0.7015 (9) | 0.0310 (5) | 0.067 (4)* | |
C70 | 0.6507 (12) | 0.6063 (10) | 0.0029 (6) | 0.084 (4)* | |
N1 | 0.3672 (9) | 0.7137 (7) | 0.4408 (4) | 0.038 (3)* | |
N2 | 0.0953 (9) | 0.7468 (7) | 0.3973 (4) | 0.035 (2)* | |
N3 | 0.1878 (9) | 0.9162 (7) | 0.3718 (4) | 0.048 (3)* | |
N4 | 0.3707 (9) | 0.8063 (8) | 0.3259 (4) | 0.042 (3)* | |
N5 | 0.7972 (11) | 0.5471 (8) | 0.1002 (5) | 0.068 (3)* | |
N6 | 0.5340 (10) | 0.6224 (8) | 0.1190 (4) | 0.058 (3)* | |
N7 | 0.6505 (10) | 0.7833 (8) | 0.0798 (4) | 0.049 (3)* | |
N8 | 0.8401 (8) | 0.7242 (7) | 0.1588 (4) | 0.041 (3)* | |
O1 | 0.2013 (11) | 0.8528 (9) | 0.5469 (6) | 0.085 (4)* | |
O2 | 0.5460 (10) | 0.9458 (8) | 0.4501 (4) | 0.066 (3)* | |
O3 | 0.9761 (12) | 0.7285 (10) | 0.0010 (5) | 0.089 (4)* | |
O4 | 0.6220 (14) | 0.5607 (12) | −0.0421 (7) | 0.124 (5)* | |
Ru1 | 0.2842 (2) | 0.82313 (17) | 0.41644 (10) | 0.0299 (10) | |
Ru2 | 0.7254 (2) | 0.6639 (2) | 0.07873 (11) | 0.0497 (13) | |
H1 | 0.576475 | 0.766729 | 0.478713 | 0.0854* | |
H2 | 0.630193 | 0.601662 | 0.470303 | 0.0939* | |
H3 | 0.401099 | 0.499883 | 0.425547 | 0.0822* | |
H7 | −0.117647 | 0.566285 | 0.370621 | 0.0607* | |
H8 | −0.25005 | 0.708695 | 0.374725 | 0.0678* | |
H12A | −0.124076 | 0.956669 | 0.4723 | 0.0894* | |
H12B | −0.012147 | 0.88218 | 0.494918 | 0.0894* | |
H11A | −0.174963 | 0.866132 | 0.309622 | 0.069* | |
H11B | −0.281941 | 0.838096 | 0.372314 | 0.069* | |
H11C | −0.220708 | 0.94709 | 0.361799 | 0.069* | |
H12C | −0.188286 | 0.847357 | 0.47932 | 0.0894* | |
H14 | −0.048975 | 1.049047 | 0.346069 | 0.0771* | |
H15 | 0.203275 | 1.109831 | 0.302461 | 0.0728* | |
H19 | 0.586456 | 0.8981 | 0.216158 | 0.0748* | |
H20 | 0.588756 | 0.724647 | 0.226561 | 0.0713* | |
H21 | 0.416973 | 0.669096 | 0.317929 | 0.0683* | |
H36 | 0.99937 | 0.547155 | 0.049888 | 0.0944* | |
H37 | 1.032613 | 0.411032 | 0.121564 | 0.1025* | |
H38 | 0.811027 | 0.368118 | 0.184658 | 0.0923* | |
H42 | 0.319865 | 0.50979 | 0.21442 | 0.1055* | |
H43 | 0.203499 | 0.62915 | 0.154237 | 0.1037* | |
H46A | 0.248853 | 0.822035 | 0.057709 | 0.1563* | |
H46B | 0.282046 | 0.800699 | 0.135434 | 0.1563* | |
H46C | 0.171692 | 0.726142 | 0.08907 | 0.1563* | |
H47A | 0.251919 | 0.650433 | 0.005393 | 0.1285* | |
H47B | 0.344117 | 0.741938 | −0.025856 | 0.1285* | |
H47C | 0.427117 | 0.649465 | −0.013521 | 0.1285* | |
H49 | 0.419785 | 0.921821 | 0.055399 | 0.0946* | |
H50 | 0.681401 | 0.997814 | 0.069593 | 0.0974* | |
H54 | 1.082702 | 0.87843 | 0.218262 | 0.0566* | |
H55 | 1.094326 | 0.725977 | 0.266911 | 0.058* | |
H56 | 0.886083 | 0.61594 | 0.217333 | 0.0586* | |
C63a | 0.9041 (6) | 1.0237 (4) | 0.1768 (3) | 0.065 (4) | |
C64a | 0.9760 (10) | 1.1078 (5) | 0.1800 (4) | 0.076 (3) | |
C65a | 1.0755 (10) | 1.1333 (6) | 0.1355 (5) | 0.083 (3) | |
C66a | 1.1050 (11) | 1.0743 (7) | 0.0877 (5) | 0.078 (3) | |
C67a | 1.0328 (10) | 0.9904 (7) | 0.0849 (4) | 0.067 (4) | |
C68a | 0.9328 (10) | 0.9645 (5) | 0.1291 (4) | 0.061 (4) | |
F16a | 0.8132 (9) | 1.0016 (6) | 0.2188 (4) | 0.086 (6) | |
F17a | 0.9505 (11) | 1.1622 (6) | 0.2246 (5) | 0.106 (5) | |
F18a | 1.1420 (12) | 1.2110 (7) | 0.1384 (5) | 0.119 (5) | |
F19a | 1.1982 (11) | 1.0965 (8) | 0.0467 (5) | 0.110 (6) | |
F20a | 1.0606 (11) | 0.9370 (7) | 0.0400 (4) | 0.088 (6) | |
C63b | 0.4578 (9) | 0.3632 (5) | 0.2148 (3) | 0.083 (5) | |
C64b | 0.4137 (10) | 0.3112 (7) | 0.2643 (4) | 0.097 (4) | |
C65b | 0.4732 (11) | 0.3285 (7) | 0.3240 (5) | 0.107 (4) | |
C66b | 0.5790 (12) | 0.3977 (7) | 0.3345 (5) | 0.104 (4) | |
C67b | 0.6228 (12) | 0.4493 (7) | 0.2848 (5) | 0.092 (5) | |
C68b | 0.5633 (12) | 0.4326 (7) | 0.2250 (4) | 0.081 (5) | |
F16b | 0.4017 (14) | 0.3456 (8) | 0.1599 (4) | 0.096 (9) | |
F17b | 0.3171 (14) | 0.2465 (8) | 0.2547 (6) | 0.124 (8) | |
F18b | 0.4324 (15) | 0.2804 (9) | 0.3697 (5) | 0.144 (7) | |
F19b | 0.6366 (15) | 0.4137 (9) | 0.3892 (5) | 0.137 (8) | |
F20b | 0.7199 (15) | 0.5135 (8) | 0.2955 (6) | 0.115 (9) | |
C63c | 0.4220 (7) | 1.0405 (5) | 0.2005 (3) | 0.060 (4) | |
C64c | 0.4958 (10) | 1.1058 (7) | 0.1667 (4) | 0.072 (3) | |
C65c | 0.5990 (11) | 1.1653 (7) | 0.1960 (5) | 0.081 (3) | |
C66c | 0.6283 (11) | 1.1606 (7) | 0.2598 (5) | 0.076 (3) | |
C67c | 0.5540 (11) | 1.0952 (7) | 0.2933 (5) | 0.063 (4) | |
C68c | 0.4509 (11) | 1.0353 (7) | 0.2642 (4) | 0.056 (4) | |
F16c | 0.3263 (12) | 0.9866 (8) | 0.1724 (6) | 0.081 (7) | |
F17c | 0.4679 (13) | 1.1113 (9) | 0.1079 (5) | 0.101 (6) | |
F18c | 0.6672 (14) | 1.2257 (8) | 0.1647 (6) | 0.120 (6) | |
F19c | 0.7221 (13) | 1.2159 (9) | 0.2877 (6) | 0.112 (6) | |
F20c | 0.5834 (14) | 1.0913 (9) | 0.3521 (5) | 0.085 (7) | |
C63d | 0.1211 (8) | 0.4478 (4) | 0.4382 (3) | 0.046 (3) | |
C64d | 0.0852 (11) | 0.3586 (5) | 0.4249 (4) | 0.062 (3) | |
C65d | 0.0609 (12) | 0.3266 (6) | 0.3633 (5) | 0.069 (3) | |
C66d | 0.0710 (11) | 0.3841 (7) | 0.3144 (4) | 0.066 (3) | |
C67d | 0.1067 (12) | 0.4732 (6) | 0.3280 (4) | 0.056 (3) | |
C68d | 0.1316 (12) | 0.5055 (5) | 0.3895 (4) | 0.044 (3) | |
F16d | 0.1421 (13) | 0.4757 (7) | 0.4956 (4) | 0.060 (6) | |
F17d | 0.0740 (15) | 0.3053 (7) | 0.4700 (5) | 0.096 (5) | |
F18d | 0.0277 (16) | 0.2442 (6) | 0.3510 (6) | 0.105 (5) | |
F19d | 0.0469 (14) | 0.3557 (8) | 0.2572 (5) | 0.098 (5) | |
F20d | 0.1167 (15) | 0.5252 (8) | 0.2821 (5) | 0.084 (6) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1 | 0.0197 (13) | 0.034 (2) | 0.0360 (15) | 0.0041 (13) | 0.0007 (10) | −0.0005 (14) |
Ru2 | 0.0452 (17) | 0.057 (3) | 0.0454 (18) | 0.0052 (17) | −0.0051 (13) | −0.0091 (17) |
C63a | 0.077 (5) | 0.067 (8) | 0.049 (6) | −0.008 (5) | 0.003 (4) | 0.003 (5) |
C64a | 0.088 (5) | 0.063 (7) | 0.073 (5) | −0.006 (5) | −0.008 (3) | 0.004 (4) |
C65a | 0.081 (5) | 0.072 (6) | 0.091 (5) | −0.017 (4) | −0.012 (4) | 0.022 (4) |
C66a | 0.064 (5) | 0.097 (7) | 0.069 (5) | −0.020 (4) | −0.004 (3) | 0.027 (4) |
C67a | 0.055 (6) | 0.094 (7) | 0.045 (5) | −0.015 (5) | −0.001 (4) | 0.008 (4) |
C68a | 0.061 (6) | 0.073 (6) | 0.043 (7) | −0.014 (4) | 0.002 (5) | 0.002 (5) |
F16a | 0.108 (8) | 0.084 (14) | 0.061 (9) | −0.008 (8) | 0.027 (7) | −0.005 (8) |
F17a | 0.133 (10) | 0.072 (10) | 0.109 (6) | −0.001 (8) | −0.001 (6) | −0.018 (6) |
F18a | 0.117 (9) | 0.077 (6) | 0.156 (10) | −0.031 (6) | −0.009 (7) | 0.027 (6) |
F19a | 0.082 (7) | 0.142 (13) | 0.100 (7) | −0.033 (7) | 0.015 (6) | 0.041 (7) |
F20a | 0.068 (13) | 0.132 (10) | 0.055 (7) | −0.018 (9) | 0.013 (7) | −0.011 (6) |
C63b | 0.069 (9) | 0.079 (8) | 0.092 (8) | −0.020 (6) | −0.008 (6) | −0.011 (6) |
C64b | 0.077 (9) | 0.086 (7) | 0.120 (7) | −0.017 (5) | 0.013 (5) | 0.003 (5) |
C65b | 0.119 (7) | 0.100 (7) | 0.099 (7) | −0.009 (5) | 0.026 (5) | 0.013 (5) |
C66b | 0.133 (8) | 0.105 (7) | 0.069 (7) | −0.012 (5) | 0.000 (5) | 0.006 (5) |
C67b | 0.102 (9) | 0.103 (7) | 0.061 (8) | −0.030 (6) | −0.015 (6) | −0.002 (5) |
C68b | 0.080 (8) | 0.090 (9) | 0.062 (8) | −0.031 (6) | −0.010 (6) | −0.009 (6) |
F16b | 0.091 (17) | 0.073 (14) | 0.113 (16) | −0.019 (11) | −0.034 (12) | −0.022 (10) |
F17b | 0.086 (17) | 0.093 (10) | 0.185 (12) | −0.027 (9) | 0.013 (9) | 0.012 (8) |
F18b | 0.185 (12) | 0.120 (13) | 0.126 (12) | −0.006 (9) | 0.053 (8) | 0.033 (9) |
F19b | 0.213 (16) | 0.124 (11) | 0.068 (13) | −0.004 (10) | −0.019 (10) | 0.012 (9) |
F20b | 0.134 (19) | 0.125 (12) | 0.070 (14) | −0.053 (11) | −0.041 (11) | 0.002 (9) |
C63c | 0.065 (6) | 0.047 (7) | 0.066 (7) | −0.010 (5) | 0.005 (5) | 0.017 (5) |
C64c | 0.073 (5) | 0.057 (7) | 0.085 (5) | −0.001 (4) | 0.021 (4) | 0.029 (5) |
C65c | 0.073 (5) | 0.049 (6) | 0.118 (5) | −0.010 (4) | 0.029 (3) | 0.028 (4) |
C66c | 0.059 (5) | 0.045 (6) | 0.121 (6) | −0.019 (4) | 0.012 (4) | 0.010 (5) |
C67c | 0.054 (5) | 0.041 (8) | 0.090 (6) | −0.015 (5) | −0.004 (4) | 0.008 (5) |
C68c | 0.060 (6) | 0.035 (8) | 0.069 (6) | −0.015 (5) | −0.004 (4) | 0.013 (5) |
F16c | 0.093 (13) | 0.081 (11) | 0.060 (14) | −0.029 (9) | −0.004 (9) | 0.012 (9) |
F17c | 0.113 (8) | 0.107 (13) | 0.085 (10) | −0.001 (8) | 0.026 (6) | 0.046 (9) |
F18c | 0.115 (9) | 0.079 (11) | 0.161 (8) | −0.028 (7) | 0.050 (6) | 0.048 (7) |
F19c | 0.081 (10) | 0.076 (10) | 0.165 (12) | −0.048 (8) | 0.010 (8) | −0.001 (8) |
F20c | 0.076 (8) | 0.075 (16) | 0.095 (11) | −0.029 (9) | −0.023 (7) | 0.004 (10) |
C63d | 0.052 (5) | 0.045 (6) | 0.042 (5) | 0.005 (4) | 0.001 (4) | 0.008 (4) |
C64d | 0.085 (5) | 0.043 (5) | 0.059 (5) | 0.008 (4) | −0.002 (3) | 0.008 (4) |
C65d | 0.097 (5) | 0.044 (4) | 0.066 (5) | 0.008 (3) | −0.009 (3) | −0.001 (3) |
C66d | 0.094 (5) | 0.049 (5) | 0.054 (5) | 0.009 (4) | −0.014 (3) | −0.006 (4) |
C67d | 0.080 (6) | 0.048 (5) | 0.039 (5) | 0.008 (4) | −0.006 (4) | −0.001 (4) |
C68d | 0.051 (7) | 0.044 (4) | 0.036 (7) | 0.003 (4) | 0.002 (5) | 0.004 (4) |
F16d | 0.088 (9) | 0.052 (13) | 0.039 (9) | −0.001 (8) | 0.002 (6) | 0.012 (8) |
F17d | 0.169 (10) | 0.046 (9) | 0.072 (8) | 0.007 (8) | 0.000 (6) | 0.017 (7) |
F18d | 0.178 (10) | 0.045 (5) | 0.089 (10) | 0.001 (5) | −0.011 (7) | −0.006 (5) |
F19d | 0.168 (8) | 0.061 (12) | 0.060 (8) | 0.008 (7) | −0.026 (5) | −0.015 (7) |
F20d | 0.160 (12) | 0.056 (9) | 0.035 (10) | 0.007 (8) | −0.007 (8) | 0.000 (8) |
C1—C2 | 1.41 (2) | C47—H47B | 1.06 |
C1—N1 | 1.398 (14) | C47—H47C | 1.06 |
C1—H1 | 1.06 | C48—C49 | 1.37 (2) |
C2—C3 | 1.421 (15) | C48—N7 | 1.391 (15) |
C2—H2 | 1.06 | C49—C50 | 1.383 (16) |
C3—C4 | 1.430 (17) | C49—H49 | 1.06 |
C3—H3 | 1.06 | C50—C51 | 1.413 (19) |
C4—C5 | 1.405 (13) | C50—H50 | 1.06 |
C4—N1 | 1.384 (16) | C51—C52 | 1.389 (13) |
C5—C6 | 1.394 (15) | C51—N7 | 1.367 (16) |
C5—C68d | 1.484 (13) | C52—C53 | 1.418 (16) |
C6—C7 | 1.384 (12) | C52—C68a | 1.471 (14) |
C6—N2 | 1.370 (15) | C53—C54 | 1.487 (12) |
C7—C8 | 1.393 (18) | C53—N8 | 1.360 (15) |
C7—H7 | 1.06 | C54—C55 | 1.356 (16) |
C8—C9 | 1.431 (15) | C54—H54 | 1.06 |
C8—H8 | 1.06 | C55—C56 | 1.402 (13) |
C9—C10 | 1.492 (17) | C55—H55 | 1.06 |
C9—N2 | 1.400 (14) | C56—N8 | 1.408 (14) |
C10—C11 | 1.510 (12) | C56—H56 | 1.06 |
C10—C12 | 1.525 (13) | C69—O3 | 1.133 (16) |
C10—C13 | 1.504 (13) | C69—Ru2 | 1.898 (11) |
C11—H11A | 1.06 | C70—O4 | 1.17 (2) |
C11—H11B | 1.06 | C70—Ru2 | 1.898 (13) |
C11—H11C | 1.06 | N1—Ru1 | 2.020 (11) |
C12—H12A | 1.06 | N2—Ru1 | 2.062 (9) |
C12—H12B | 1.06 | N3—Ru1 | 2.045 (11) |
C12—H12C | 1.06 | N4—Ru1 | 2.127 (9) |
C13—C14 | 1.444 (17) | N5—Ru2 | 2.059 (13) |
C13—N3 | 1.337 (14) | N6—Ru2 | 2.076 (10) |
C14—C15 | 1.413 (14) | N7—Ru2 | 2.041 (13) |
C14—H14 | 1.06 | N8—Ru2 | 2.132 (8) |
C15—C16 | 1.429 (17) | C63a—C64a | 1.388 (10) |
C15—H15 | 1.06 | C63a—C68a | 1.388 (10) |
C16—C17 | 1.445 (15) | C63a—F16a | 1.284 (11) |
C16—N3 | 1.425 (15) | C64a—C65a | 1.388 (13) |
C17—C18 | 1.396 (18) | C64a—F17a | 1.284 (13) |
C17—C68c | 1.473 (15) | C65a—C66a | 1.388 (14) |
C18—C19 | 1.475 (14) | C65a—F18a | 1.284 (14) |
C18—N4 | 1.386 (16) | C66a—C67a | 1.388 (14) |
C19—C20 | 1.418 (19) | C66a—F19a | 1.284 (14) |
C19—H19 | 1.06 | C67a—C68a | 1.388 (13) |
C20—C21 | 1.436 (14) | C67a—F20a | 1.284 (14) |
C20—H20 | 1.06 | C63b—C64b | 1.388 (12) |
C21—N4 | 1.400 (17) | C63b—C68b | 1.388 (13) |
C21—H21 | 1.06 | C63b—F16b | 1.284 (12) |
C34—O1 | 1.086 (17) | C64b—C65b | 1.388 (13) |
C34—Ru1 | 1.848 (12) | C64b—F17b | 1.284 (15) |
C35—O2 | 1.120 (14) | C65b—C66b | 1.388 (15) |
C35—Ru1 | 1.894 (10) | C65b—F18b | 1.284 (16) |
C36—C37 | 1.446 (18) | C66b—C67b | 1.388 (15) |
C36—N5 | 1.412 (16) | C66b—F19b | 1.284 (16) |
C36—H36 | 1.06 | C67b—C68b | 1.388 (14) |
C37—C38 | 1.332 (15) | C67b—F20b | 1.284 (16) |
C37—H37 | 1.06 | C63c—C64c | 1.388 (12) |
C38—C39 | 1.505 (19) | C63c—C68c | 1.388 (12) |
C38—H38 | 1.06 | C63c—F16c | 1.284 (13) |
C39—C40 | 1.409 (15) | C64c—C65c | 1.388 (13) |
C39—N5 | 1.398 (16) | C64c—F17c | 1.284 (13) |
C40—C41 | 1.401 (19) | C65c—C66c | 1.388 (15) |
C40—C68b | 1.488 (15) | C65c—F18c | 1.284 (16) |
C41—C42 | 1.473 (16) | C66c—C67c | 1.388 (15) |
C41—N6 | 1.338 (17) | C66c—F19c | 1.284 (16) |
C42—C43 | 1.360 (19) | C67c—C68c | 1.388 (14) |
C42—H42 | 1.06 | C67c—F20c | 1.284 (14) |
C43—C44 | 1.396 (16) | C63d—C64d | 1.388 (10) |
C43—H43 | 1.06 | C63d—C68d | 1.388 (11) |
C44—C45 | 1.405 (18) | C63d—F16d | 1.284 (10) |
C44—N6 | 1.379 (16) | C64d—C65d | 1.388 (13) |
C45—C46 | 1.585 (19) | C64d—F17d | 1.284 (14) |
C45—C47 | 1.492 (15) | C65d—C66d | 1.388 (14) |
C45—C48 | 1.549 (16) | C65d—F18d | 1.284 (13) |
C46—H46A | 1.06 | C66d—C67d | 1.388 (14) |
C46—H46B | 1.06 | C66d—F19d | 1.284 (14) |
C46—H46C | 1.06 | C67d—C68d | 1.388 (13) |
C47—H47A | 1.06 | C67d—F20d | 1.284 (15) |
C2—C1—N1 | 106.9 (10) | C53—C54—C55 | 107.4 (9) |
C2—C1—H1 | 126.55 | C53—C54—H54 | 126.32 |
N1—C1—H1 | 126.54 | C55—C54—H54 | 126.32 |
C1—C2—C3 | 110.6 (11) | C54—C55—C56 | 107.8 (9) |
C1—C2—H2 | 124.72 | C54—C55—H55 | 126.08 |
C3—C2—H2 | 124.72 | C56—C55—H55 | 126.08 |
C2—C3—C4 | 103.7 (11) | C55—C56—N8 | 109.8 (10) |
C2—C3—H3 | 128.13 | C55—C56—H56 | 125.08 |
C4—C3—H3 | 128.13 | N8—C56—H56 | 125.08 |
C3—C4—C5 | 122.7 (11) | O3—C69—Ru2 | 175.1 (13) |
C3—C4—N1 | 110.5 (9) | O4—C70—Ru2 | 168.0 (14) |
C5—C4—N1 | 126.7 (11) | C1—N1—C4 | 108.3 (10) |
C4—C5—C6 | 124.4 (10) | C1—N1—Ru1 | 124.7 (9) |
C4—C5—C68d | 118.4 (10) | C4—N1—Ru1 | 125.0 (7) |
C6—C5—C68d | 117.2 (8) | C6—N2—C9 | 107.8 (8) |
C5—C6—C7 | 126.0 (10) | C6—N2—Ru1 | 127.6 (7) |
C5—C6—N2 | 124.4 (8) | C9—N2—Ru1 | 124.5 (8) |
C7—C6—N2 | 109.5 (10) | C13—N3—C16 | 108.4 (10) |
C6—C7—C8 | 108.6 (10) | C13—N3—Ru1 | 128.6 (8) |
C6—C7—H7 | 125.71 | C16—N3—Ru1 | 122.2 (7) |
C8—C7—H7 | 125.71 | C18—N4—C21 | 108.2 (9) |
C7—C8—C9 | 106.3 (10) | C18—N4—Ru1 | 119.2 (8) |
C7—C8—H8 | 126.85 | C21—N4—Ru1 | 127.3 (8) |
C9—C8—H8 | 126.85 | C36—N5—C39 | 110.0 (11) |
C8—C9—C10 | 122.9 (9) | C36—N5—Ru2 | 126.3 (8) |
C8—C9—N2 | 107.7 (11) | C39—N5—Ru2 | 122.4 (9) |
C10—C9—N2 | 129.2 (9) | C41—N6—C44 | 108.8 (10) |
C9—C10—C11 | 108.6 (8) | C41—N6—Ru2 | 124.5 (8) |
C9—C10—C12 | 108.2 (8) | C44—N6—Ru2 | 126.6 (9) |
C9—C10—C13 | 110.0 (8) | C48—N7—C51 | 106.3 (11) |
C11—C10—C12 | 109.0 (7) | C48—N7—Ru2 | 127.8 (9) |
C11—C10—C13 | 109.4 (8) | C51—N7—Ru2 | 125.6 (8) |
C12—C10—C13 | 111.5 (8) | C53—N8—C56 | 107.4 (8) |
C10—C11—H11A | 109.47 | C53—N8—Ru2 | 120.7 (6) |
C10—C11—H11B | 109.47 | C56—N8—Ru2 | 127.1 (8) |
C10—C11—H11C | 109.47 | C34—Ru1—C35 | 85.6 (4) |
H11A—C11—H11B | 109.47 | C34—Ru1—N1 | 91.7 (5) |
H11A—C11—H11C | 109.47 | C34—Ru1—N2 | 90.5 (4) |
H11B—C11—H11C | 109.47 | C34—Ru1—N3 | 99.8 (5) |
C10—C12—H12A | 109.47 | C34—Ru1—N4 | 173.0 (4) |
C10—C12—H12B | 109.47 | C35—Ru1—N1 | 95.5 (5) |
C10—C12—H12C | 109.47 | C35—Ru1—N2 | 174.3 (5) |
H12A—C12—H12B | 109.47 | C35—Ru1—N3 | 93.4 (5) |
H12A—C12—H12C | 109.47 | C35—Ru1—N4 | 87.5 (4) |
H12B—C12—H12C | 109.47 | N1—Ru1—N2 | 88.7 (4) |
C10—C13—C14 | 125.1 (9) | N1—Ru1—N3 | 165.9 (4) |
C10—C13—N3 | 125.8 (11) | N1—Ru1—N4 | 87.7 (4) |
C14—C13—N3 | 108.5 (9) | N2—Ru1—N3 | 83.2 (4) |
C13—C14—C15 | 109.1 (10) | N2—Ru1—N4 | 96.4 (3) |
C13—C14—H14 | 125.46 | N3—Ru1—N4 | 81.8 (4) |
C15—C14—H14 | 125.46 | C69—Ru2—C70 | 85.8 (5) |
C14—C15—C16 | 104.4 (10) | C69—Ru2—N5 | 93.8 (5) |
C14—C15—H15 | 127.79 | C69—Ru2—N6 | 171.9 (4) |
C16—C15—H15 | 127.79 | C69—Ru2—N7 | 94.1 (5) |
C15—C16—C17 | 125.0 (9) | C69—Ru2—N8 | 86.8 (4) |
C15—C16—N3 | 109.5 (9) | C70—Ru2—N5 | 87.1 (6) |
C17—C16—N3 | 119.2 (11) | C70—Ru2—N6 | 87.0 (5) |
C16—C17—C18 | 123.8 (10) | C70—Ru2—N7 | 104.4 (5) |
C16—C17—C68c | 116.2 (11) | C70—Ru2—N8 | 171.1 (5) |
C18—C17—C68c | 119.9 (9) | N5—Ru2—N6 | 89.7 (5) |
C17—C18—C19 | 122.6 (10) | N5—Ru2—N7 | 166.5 (4) |
C17—C18—N4 | 126.2 (9) | N5—Ru2—N8 | 88.5 (4) |
C19—C18—N4 | 110.9 (11) | N6—Ru2—N7 | 84.0 (4) |
C18—C19—C20 | 102.8 (9) | N6—Ru2—N8 | 100.7 (4) |
C18—C19—H19 | 128.6 | N7—Ru2—N8 | 81.0 (4) |
C20—C19—H19 | 128.6 | C64a—C63a—C68a | 119.7 (7) |
C19—C20—C21 | 110.8 (10) | C64a—C63a—F16a | 119.4 (7) |
C19—C20—H20 | 124.61 | C68a—C63a—F16a | 120.9 (7) |
C21—C20—H20 | 124.61 | C63a—C64a—C65a | 120.6 (8) |
C20—C21—N4 | 107.3 (11) | C63a—C64a—F17a | 119.7 (8) |
C20—C21—H21 | 126.34 | C65a—C64a—F17a | 119.7 (8) |
N4—C21—H21 | 126.34 | C64a—C65a—C66a | 120.0 (8) |
O1—C34—Ru1 | 175.3 (13) | C64a—C65a—F18a | 120.6 (10) |
O2—C35—Ru1 | 177.7 (12) | C66a—C65a—F18a | 119.4 (10) |
C37—C36—N5 | 104.7 (10) | C65a—C66a—C67a | 119.1 (9) |
C37—C36—H36 | 127.67 | C65a—C66a—F19a | 120.8 (10) |
N5—C36—H36 | 127.67 | C67a—C66a—F19a | 120.1 (10) |
C36—C37—C38 | 113.0 (12) | C66a—C67a—C68a | 121.2 (9) |
C36—C37—H37 | 123.5 | C66a—C67a—F20a | 118.2 (9) |
C38—C37—H37 | 123.5 | C68a—C67a—F20a | 120.6 (9) |
C37—C38—C39 | 105.4 (11) | C52—C68a—C63a | 121.9 (8) |
C37—C38—H38 | 127.32 | C52—C68a—C67a | 118.6 (8) |
C39—C38—H38 | 127.32 | C63a—C68a—C67a | 119.4 (8) |
C38—C39—C40 | 123.7 (11) | C64b—C63b—C68b | 119.7 (7) |
C38—C39—N5 | 106.7 (9) | C64b—C63b—F16b | 119.4 (9) |
C40—C39—N5 | 129.4 (12) | C68b—C63b—F16b | 120.9 (8) |
C39—C40—C41 | 120.9 (11) | C63b—C64b—C65b | 120.6 (8) |
C39—C40—C68b | 119.0 (11) | C63b—C64b—F17b | 119.7 (9) |
C41—C40—C68b | 119.9 (10) | C65b—C64b—F17b | 119.7 (10) |
C40—C41—C42 | 121.9 (11) | C64b—C65b—C66b | 120.0 (9) |
C40—C41—N6 | 129.4 (10) | C64b—C65b—F18b | 120.6 (10) |
C42—C41—N6 | 108.2 (11) | C66b—C65b—F18b | 119.4 (10) |
C41—C42—C43 | 105.4 (10) | C65b—C66b—C67b | 119.1 (9) |
C41—C42—H42 | 127.32 | C65b—C66b—F19b | 120.8 (11) |
C43—C42—H42 | 127.32 | C67b—C66b—F19b | 120.1 (11) |
C42—C43—C44 | 109.1 (11) | C66b—C67b—C68b | 121.2 (9) |
C42—C43—H43 | 125.46 | C66b—C67b—F20b | 118.2 (10) |
C44—C43—H43 | 125.46 | C68b—C67b—F20b | 120.6 (10) |
C43—C44—C45 | 129.0 (11) | C40—C68b—C63b | 121.0 (8) |
C43—C44—N6 | 108.5 (11) | C40—C68b—C67b | 119.3 (9) |
C45—C44—N6 | 122.1 (10) | C63b—C68b—C67b | 119.4 (8) |
C44—C45—C46 | 107.4 (10) | C64c—C63c—C68c | 119.7 (7) |
C44—C45—C47 | 114.9 (11) | C64c—C63c—F16c | 119.4 (8) |
C44—C45—C48 | 116.6 (9) | C68c—C63c—F16c | 120.9 (9) |
C46—C45—C47 | 102.4 (9) | C63c—C64c—C65c | 120.6 (8) |
C46—C45—C48 | 102.5 (11) | C63c—C64c—F17c | 119.7 (9) |
C47—C45—C48 | 111.1 (9) | C65c—C64c—F17c | 119.7 (10) |
C45—C46—H46A | 109.47 | C64c—C65c—C66c | 120.0 (9) |
C45—C46—H46B | 109.47 | C64c—C65c—F18c | 120.6 (10) |
C45—C46—H46C | 109.47 | C66c—C65c—F18c | 119.4 (10) |
H46A—C46—H46B | 109.47 | C65c—C66c—C67c | 119.1 (9) |
H46A—C46—H46C | 109.47 | C65c—C66c—F19c | 120.8 (11) |
H46B—C46—H46C | 109.47 | C67c—C66c—F19c | 120.1 (11) |
C45—C47—H47A | 109.47 | C66c—C67c—C68c | 121.2 (9) |
C45—C47—H47B | 109.47 | C66c—C67c—F20c | 118.2 (10) |
C45—C47—H47C | 109.47 | C68c—C67c—F20c | 120.6 (11) |
H47A—C47—H47B | 109.47 | C17—C68c—C63c | 121.4 (8) |
H47A—C47—H47C | 109.47 | C17—C68c—C67c | 119.0 (9) |
H47B—C47—H47C | 109.47 | C63c—C68c—C67c | 119.4 (9) |
C45—C48—C49 | 131.4 (10) | C64d—C63d—C68d | 119.7 (6) |
C45—C48—N7 | 118.0 (11) | C64d—C63d—F16d | 119.4 (8) |
C49—C48—N7 | 109.9 (10) | C68d—C63d—F16d | 120.9 (8) |
C48—C49—C50 | 107.6 (12) | C63d—C64d—C65d | 120.6 (8) |
C48—C49—H49 | 126.21 | C63d—C64d—F17d | 119.7 (8) |
C50—C49—H49 | 126.21 | C65d—C64d—F17d | 119.7 (8) |
C49—C50—C51 | 106.6 (12) | C64d—C65d—C66d | 120.0 (8) |
C49—C50—H50 | 126.68 | C64d—C65d—F18d | 120.6 (10) |
C51—C50—H50 | 126.68 | C66d—C65d—F18d | 119.4 (10) |
C50—C51—C52 | 124.5 (11) | C65d—C66d—C67d | 119.1 (9) |
C50—C51—N7 | 109.2 (9) | C65d—C66d—F19d | 120.8 (10) |
C52—C51—N7 | 122.9 (11) | C67d—C66d—F19d | 120.1 (10) |
C51—C52—C53 | 121.7 (10) | C66d—C67d—C68d | 121.2 (9) |
C51—C52—C68a | 119.8 (10) | C66d—C67d—F20d | 118.2 (9) |
C53—C52—C68a | 118.1 (8) | C68d—C67d—F20d | 120.6 (9) |
C52—C53—C54 | 126.1 (10) | C5—C68d—C63d | 120.9 (7) |
C52—C53—N8 | 126.2 (8) | C5—C68d—C67d | 119.7 (8) |
C54—C53—N8 | 107.5 (9) | C63d—C68d—C67d | 119.4 (7) |
D—H···A | D—H | H···A | D···A | D—H···A |
C7—H7···F20bi | 1.06 | 2.27 | 3.050 (16) | 128.84 |
C12—H12B···C34 | 1.06 | 2.45 | 3.384 (15) | 146.35 |
C12—H12B···O1 | 1.06 | 2.41 | 3.458 (15) | 171.94 |
C38—H38···F18cii | 1.06 | 2.46 | 3.251 (18) | 130.50 |
C42—H42···F20d | 1.06 | 2.46 | 3.249 (17) | 130.16 |
C47—H47C···C70 | 1.06 | 2.34 | 3.264 (18) | 145.26 |
Symmetry codes: (i) x−1, y, z; (ii) x, y−1, z. |
[Ru(C33H16F10N4)(CO)2] | Z = 4 |
Mr = 815.59 | F(000) = 1616 |
Triclinic, P1 | Dx = 1.796 Mg m−3 |
a = 9.4599 (6) Å | Cu Kα X-ray radiation, λ = 1.54178 Å |
b = 15.2428 (11) Å | Cell parameters from 9795 reflections |
c = 21.0881 (14) Å | θ = 2.9–66.8° |
α = 92.726 (5)° | µ = 5.16 mm−1 |
β = 90.652 (5)° | T = 100 K |
γ = 96.560 (4)° | Needle, red |
V = 3017.0 (4) Å3 | 0.10 × 0.04 × 0.04 mm |
Bruker Venture PHOTON III diffractometer | 2333 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.099 |
Absorption correction: multi-scan (SADABS; Bruker, 2016) | θmax = 35.0°, θmin = 2.1° |
Tmin = 0.530, Tmax = 0.749 | h = −7→7 |
19369 measured reflections | k = −11→10 |
2568 independent reflections | l = −15→15 |
Refinement on F2 | Primary atom site location: dual |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.146 | H-atom parameters constrained |
wR(F2) = 0.348 | w = 1/[σ2(Fo2) + (0.0001P)2 + 484.4517P] where P = (Fo2 + 2Fc2)/3 |
S = 1.25 | (Δ/σ)max < 0.001 |
2568 reflections | Δρmax = 1.63 e Å−3 |
431 parameters | Δρmin = −1.24 e Å−3 |
132 restraints |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Ru1_1 | 0.2803 (4) | 0.8252 (3) | 0.41791 (19) | 0.0241 (17) | |
F1_1 | 0.144 (3) | 0.4733 (16) | 0.4973 (12) | 0.026 (5)* | |
F2_1 | 0.079 (3) | 0.3023 (17) | 0.4730 (12) | 0.031 (5)* | |
F3_1 | 0.033 (3) | 0.2372 (18) | 0.3504 (12) | 0.032 (5)* | |
F4_1 | 0.053 (3) | 0.3524 (17) | 0.2558 (13) | 0.031 (5)* | |
F5_1 | 0.111 (3) | 0.5236 (17) | 0.2806 (12) | 0.030 (5)* | |
F6_1 | 0.328 (3) | 0.9828 (17) | 0.1678 (12) | 0.031 (5)* | |
F7_1 | 0.477 (3) | 1.1098 (17) | 0.1026 (12) | 0.032 (5)* | |
F8_1 | 0.672 (3) | 1.2289 (18) | 0.1613 (12) | 0.034 (5)* | |
F9_1 | 0.711 (3) | 1.2232 (18) | 0.2900 (12) | 0.033 (5)* | |
F10_1 | 0.574 (3) | 1.0958 (16) | 0.3544 (12) | 0.029 (5)* | |
O1_1 | 0.198 (3) | 0.856 (2) | 0.5510 (16) | 0.027 (4)* | |
O2_1 | 0.551 (4) | 0.950 (2) | 0.4501 (14) | 0.027 (4)* | |
N1_1 | 0.368 (4) | 0.716 (3) | 0.4438 (17) | 0.026 (4)* | |
N2_1 | 0.089 (4) | 0.748 (3) | 0.4011 (17) | 0.024 (3)* | |
N3_1 | 0.184 (4) | 0.920 (3) | 0.3705 (18) | 0.025 (3)* | |
N4_1 | 0.365 (4) | 0.806 (3) | 0.3258 (18) | 0.026 (4)* | |
C1_1 | 0.508 (5) | 0.711 (3) | 0.464 (2) | 0.026 (4)* | |
H1_1 | 0.573650 | 0.760495 | 0.477301 | 0.031* | |
C2_1 | 0.541 (6) | 0.622 (3) | 0.463 (2) | 0.026 (4)* | |
H2_1 | 0.626140 | 0.601410 | 0.477664 | 0.031* | |
C3_1 | 0.426 (5) | 0.573 (3) | 0.437 (2) | 0.026 (4)* | |
H3_1 | 0.418056 | 0.510974 | 0.426208 | 0.031* | |
C4_1 | 0.318 (6) | 0.630 (3) | 0.428 (2) | 0.025 (4)* | |
C5_1 | 0.178 (6) | 0.604 (3) | 0.404 (2) | 0.025 (3)* | |
C6_1 | 0.068 (6) | 0.655 (3) | 0.395 (2) | 0.024 (3)* | |
C7_1 | −0.078 (5) | 0.633 (3) | 0.381 (2) | 0.024 (4)* | |
H7_1 | −0.123403 | 0.574225 | 0.375105 | 0.029* | |
C8_1 | −0.142 (6) | 0.702 (3) | 0.378 (2) | 0.024 (4)* | |
H8_1 | −0.240976 | 0.701967 | 0.368708 | 0.028* | |
C9_1 | −0.049 (5) | 0.778 (3) | 0.390 (2) | 0.024 (3)* | |
C10_1 | −0.072 (5) | 0.875 (3) | 0.399 (2) | 0.024 (3)* | |
C11_1 | 0.041 (5) | 0.938 (3) | 0.376 (2) | 0.024 (3)* | |
C12_1 | 0.039 (5) | 1.021 (3) | 0.348 (2) | 0.025 (4)* | |
H12_1 | −0.039985 | 1.054570 | 0.348885 | 0.030* | |
C13_1 | 0.169 (5) | 1.046 (3) | 0.321 (2) | 0.025 (4)* | |
H13_1 | 0.192391 | 1.095943 | 0.296412 | 0.030* | |
C14_1 | 0.262 (5) | 0.982 (3) | 0.338 (2) | 0.025 (3)* | |
C15_1 | 0.377 (5) | 0.961 (3) | 0.301 (2) | 0.026 (3)* | |
C16_1 | 0.423 (5) | 0.876 (3) | 0.293 (2) | 0.026 (4)* | |
C17_1 | 0.519 (5) | 0.847 (3) | 0.246 (2) | 0.026 (4)* | |
H17_1 | 0.567707 | 0.881597 | 0.215651 | 0.031* | |
C18_1 | 0.525 (5) | 0.758 (3) | 0.254 (2) | 0.026 (4)* | |
H18_1 | 0.581684 | 0.719862 | 0.231272 | 0.031* | |
C19_1 | 0.430 (5) | 0.736 (3) | 0.304 (2) | 0.026 (4)* | |
H19_1 | 0.412877 | 0.678761 | 0.320018 | 0.031* | |
C20_1 | 0.125 (5) | 0.445 (3) | 0.437 (2) | 0.027 (3)* | |
C21_1 | 0.081 (5) | 0.351 (3) | 0.422 (3) | 0.028 (4)* | |
C22_1 | 0.060 (5) | 0.327 (4) | 0.360 (3) | 0.028 (4)* | |
C23_1 | 0.075 (5) | 0.383 (4) | 0.316 (3) | 0.028 (4)* | |
C24_1 | 0.106 (5) | 0.476 (3) | 0.332 (3) | 0.027 (3)* | |
C25_1 | 0.125 (5) | 0.508 (3) | 0.392 (2) | 0.026 (3)* | |
C26_1 | 0.420 (5) | 1.036 (3) | 0.203 (3) | 0.029 (3)* | |
C27_1 | 0.500 (5) | 1.104 (3) | 0.166 (3) | 0.030 (4)* | |
C28_1 | 0.603 (6) | 1.168 (4) | 0.193 (3) | 0.030 (4)* | |
C29_1 | 0.624 (6) | 1.171 (3) | 0.254 (3) | 0.030 (4)* | |
C30_1 | 0.550 (5) | 1.099 (3) | 0.291 (2) | 0.029 (3)* | |
C31_1 | 0.441 (5) | 1.029 (3) | 0.265 (3) | 0.028 (3)* | |
C32_1 | −0.206 (5) | 0.887 (3) | 0.357 (2) | 0.024 (5)* | |
H32A_1 | −0.183540 | 0.878139 | 0.312340 | 0.036* | |
H32B_1 | −0.233032 | 0.946586 | 0.365152 | 0.036* | |
H32C_1 | −0.285002 | 0.843234 | 0.368208 | 0.036* | |
C33_1 | −0.110 (5) | 0.899 (3) | 0.470 (2) | 0.023 (5)* | |
H33A_1 | −0.203685 | 0.869067 | 0.479564 | 0.035* | |
H33B_1 | −0.111889 | 0.963526 | 0.475674 | 0.035* | |
H33C_1 | −0.038214 | 0.880887 | 0.498776 | 0.035* | |
C34_1 | 0.233 (5) | 0.843 (3) | 0.496 (3) | 0.024 (2)* | |
C35_1 | 0.453 (6) | 0.900 (3) | 0.438 (2) | 0.024 (2)* | |
Ru1_2 | 0.7253 (5) | 0.6604 (3) | 0.0770 (2) | 0.0283 (17) | |
F1_2 | 1.066 (3) | 0.9373 (17) | 0.0377 (12) | 0.035 (5)* | |
F2_2 | 1.197 (3) | 1.1039 (17) | 0.0460 (12) | 0.038 (5)* | |
F3_2 | 1.129 (3) | 1.2230 (18) | 0.1408 (12) | 0.035 (5)* | |
F4_2 | 0.941 (3) | 1.1676 (18) | 0.2296 (13) | 0.038 (5)* | |
F5_2 | 0.805 (3) | 1.0000 (17) | 0.2214 (12) | 0.034 (5)* | |
F6_2 | 0.714 (3) | 0.5136 (18) | 0.2984 (12) | 0.038 (5)* | |
F7_2 | 0.626 (3) | 0.4109 (17) | 0.3938 (14) | 0.039 (5)* | |
F8_2 | 0.413 (3) | 0.2778 (18) | 0.3705 (13) | 0.039 (5)* | |
F9_2 | 0.306 (3) | 0.2431 (18) | 0.2545 (12) | 0.039 (5)* | |
F10_2 | 0.402 (3) | 0.3399 (17) | 0.1575 (13) | 0.036 (5)* | |
O1_2 | 0.976 (4) | 0.731 (2) | −0.0029 (15) | 0.030 (4)* | |
O2_2 | 0.615 (3) | 0.562 (2) | −0.0409 (15) | 0.030 (4)* | |
N1_2 | 0.842 (4) | 0.720 (3) | 0.1567 (18) | 0.030 (4)* | |
N2_2 | 0.649 (5) | 0.782 (3) | 0.0781 (18) | 0.031 (4)* | |
N3_2 | 0.530 (4) | 0.621 (3) | 0.1193 (19) | 0.032 (4)* | |
N4_2 | 0.795 (4) | 0.539 (3) | 0.1005 (19) | 0.033 (4)* | |
C1_2 | 0.905 (5) | 0.683 (3) | 0.205 (2) | 0.030 (4)* | |
H1_2 | 0.876819 | 0.624559 | 0.217519 | 0.036* | |
C2_2 | 1.019 (5) | 0.740 (3) | 0.233 (2) | 0.030 (4)* | |
H2_2 | 1.086898 | 0.726042 | 0.263655 | 0.036* | |
C3_2 | 1.011 (5) | 0.821 (3) | 0.207 (2) | 0.030 (4)* | |
H3_2 | 1.069542 | 0.874091 | 0.218654 | 0.036* | |
C4_2 | 0.903 (6) | 0.811 (4) | 0.161 (2) | 0.030 (4)* | |
C5_2 | 0.857 (6) | 0.869 (4) | 0.126 (2) | 0.031 (3)* | |
C6_2 | 0.729 (6) | 0.859 (4) | 0.086 (2) | 0.031 (3)* | |
C7_2 | 0.645 (5) | 0.934 (4) | 0.074 (2) | 0.031 (4)* | |
H7_2 | 0.674512 | 0.995701 | 0.073961 | 0.037* | |
C8_2 | 0.504 (6) | 0.886 (3) | 0.061 (2) | 0.030 (4)* | |
H8_2 | 0.419989 | 0.911296 | 0.051117 | 0.037* | |
C9_2 | 0.513 (6) | 0.802 (4) | 0.067 (2) | 0.031 (3)* | |
C10_2 | 0.391 (5) | 0.725 (3) | 0.067 (2) | 0.031 (3)* | |
C11_2 | 0.403 (6) | 0.658 (3) | 0.112 (2) | 0.032 (3)* | |
C12_2 | 0.307 (6) | 0.607 (3) | 0.153 (2) | 0.032 (4)* | |
H12_2 | 0.210407 | 0.617906 | 0.158176 | 0.038* | |
C13_2 | 0.363 (5) | 0.544 (3) | 0.184 (2) | 0.032 (4)* | |
H13_2 | 0.318958 | 0.504002 | 0.213347 | 0.039* | |
C14_2 | 0.513 (6) | 0.555 (4) | 0.161 (2) | 0.033 (3)* | |
C15_2 | 0.602 (6) | 0.496 (3) | 0.176 (2) | 0.034 (3)* | |
C16_2 | 0.741 (6) | 0.489 (3) | 0.149 (2) | 0.033 (4)* | |
C17_2 | 0.832 (5) | 0.423 (3) | 0.159 (2) | 0.033 (4)* | |
H17_2 | 0.815433 | 0.374585 | 0.185891 | 0.040* | |
C18_2 | 0.950 (6) | 0.442 (3) | 0.121 (2) | 0.033 (4)* | |
H18_2 | 1.030091 | 0.410054 | 0.119346 | 0.040* | |
C19_2 | 0.934 (6) | 0.515 (3) | 0.086 (2) | 0.033 (4)* | |
H19_2 | 1.000969 | 0.544192 | 0.058841 | 0.040* | |
C20_2 | 1.038 (5) | 0.995 (4) | 0.084 (2) | 0.034 (4)* | |
C21_2 | 1.096 (6) | 1.084 (4) | 0.091 (3) | 0.034 (4)* | |
C22_2 | 1.071 (6) | 1.131 (4) | 0.141 (3) | 0.034 (4)* | |
C23_2 | 0.969 (6) | 1.110 (4) | 0.181 (3) | 0.034 (4)* | |
C24_2 | 0.903 (6) | 1.028 (4) | 0.176 (2) | 0.034 (4)* | |
C25_2 | 0.927 (5) | 0.958 (4) | 0.130 (2) | 0.033 (3)* | |
C26_2 | 0.601 (6) | 0.439 (4) | 0.282 (3) | 0.036 (4)* | |
C27_2 | 0.578 (6) | 0.403 (4) | 0.335 (3) | 0.037 (4)* | |
C28_2 | 0.466 (6) | 0.331 (4) | 0.324 (3) | 0.037 (4)* | |
C29_2 | 0.418 (6) | 0.316 (4) | 0.268 (3) | 0.037 (4)* | |
C30_2 | 0.441 (6) | 0.353 (4) | 0.216 (3) | 0.036 (4)* | |
C31_2 | 0.555 (6) | 0.429 (3) | 0.225 (3) | 0.035 (3)* | |
C32_2 | 0.258 (5) | 0.773 (3) | 0.090 (2) | 0.030 (5)* | |
H32A_2 | 0.272650 | 0.793106 | 0.135017 | 0.046* | |
H32B_2 | 0.171543 | 0.731016 | 0.085893 | 0.046* | |
H32C_2 | 0.248450 | 0.823702 | 0.064545 | 0.046* | |
C33_2 | 0.346 (5) | 0.686 (3) | 0.000 (2) | 0.031 (5)* | |
H33A_2 | 0.329632 | 0.734099 | −0.027758 | 0.046* | |
H33B_2 | 0.258612 | 0.645546 | 0.002371 | 0.046* | |
H33C_2 | 0.421969 | 0.654004 | −0.017841 | 0.046* | |
C34_2 | 0.890 (6) | 0.703 (3) | 0.032 (2) | 0.028 (2)* | |
C35_2 | 0.659 (5) | 0.612 (3) | 0.007 (2) | 0.028 (2)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1_1 | 0.021 (2) | 0.023 (2) | 0.029 (2) | 0.0036 (13) | 0.0023 (13) | −0.0007 (13) |
Ru1_2 | 0.024 (2) | 0.030 (2) | 0.031 (2) | 0.0050 (14) | 0.0018 (13) | −0.0015 (13) |
Ru1_1—N1_1 | 2.04 (4) | Ru1_2—N1_2 | 2.11 (4) |
Ru1_1—N2_1 | 2.06 (4) | Ru1_2—N2_2 | 2.07 (4) |
Ru1_1—N3_1 | 2.08 (4) | Ru1_2—N3_2 | 2.10 (4) |
Ru1_1—N4_1 | 2.13 (4) | Ru1_2—N4_2 | 2.11 (4) |
Ru1_1—C34_1 | 1.73 (5) | Ru1_2—C34_2 | 1.90 (6) |
Ru1_1—C35_1 | 1.92 (6) | Ru1_2—C35_2 | 1.71 (5) |
F1_1—C20_1 | 1.33 (5) | F1_2—C20_2 | 1.34 (5) |
F2_1—C21_1 | 1.33 (5) | F2_2—C21_2 | 1.37 (5) |
F3_1—C22_1 | 1.36 (5) | F3_2—C22_2 | 1.46 (5) |
F4_1—C23_1 | 1.33 (5) | F4_2—C23_2 | 1.37 (5) |
F5_1—C24_1 | 1.32 (5) | F5_2—C24_2 | 1.39 (5) |
F6_1—C26_1 | 1.31 (5) | F6_2—C26_2 | 1.49 (6) |
F7_1—C27_1 | 1.35 (5) | F7_2—C27_2 | 1.32 (5) |
F8_1—C28_1 | 1.29 (5) | F8_2—C28_2 | 1.36 (5) |
F9_1—C29_1 | 1.29 (5) | F9_2—C29_2 | 1.46 (6) |
F10_1—C30_1 | 1.36 (5) | F10_2—C30_2 | 1.29 (5) |
O1_1—C34_1 | 1.22 (5) | O1_2—C34_2 | 1.16 (5) |
O2_1—C35_1 | 1.15 (5) | O2_2—C35_2 | 1.27 (5) |
N1_1—C1_1 | 1.40 (5) | N1_2—C1_2 | 1.35 (5) |
N1_1—C4_1 | 1.37 (5) | N1_2—C4_2 | 1.43 (6) |
N2_1—C6_1 | 1.41 (5) | N2_2—C6_2 | 1.32 (5) |
N2_1—C9_1 | 1.45 (5) | N2_2—C9_2 | 1.37 (5) |
N3_1—C11_1 | 1.41 (5) | N3_2—C11_2 | 1.40 (5) |
N3_1—C14_1 | 1.35 (5) | N3_2—C14_2 | 1.37 (6) |
N4_1—C16_1 | 1.36 (5) | N4_2—C16_2 | 1.37 (6) |
N4_1—C19_1 | 1.35 (5) | N4_2—C19_2 | 1.43 (6) |
C1_1—H1_1 | 0.9500 | C1_2—H1_2 | 0.9500 |
C1_1—C2_1 | 1.42 (6) | C1_2—C2_2 | 1.42 (6) |
C2_1—H2_1 | 0.9500 | C2_2—H2_2 | 0.9500 |
C2_1—C3_1 | 1.34 (6) | C2_2—C3_2 | 1.38 (6) |
C3_1—H3_1 | 0.9500 | C3_2—H3_2 | 0.9500 |
C3_1—C4_1 | 1.44 (6) | C3_2—C4_2 | 1.40 (6) |
C4_1—C5_1 | 1.41 (6) | C4_2—C5_2 | 1.29 (6) |
C5_1—C6_1 | 1.39 (6) | C5_2—C6_2 | 1.46 (6) |
C5_1—C25_1 | 1.49 (6) | C5_2—C25_2 | 1.43 (6) |
C6_1—C7_1 | 1.41 (6) | C6_2—C7_2 | 1.50 (6) |
C7_1—H7_1 | 0.9500 | C7_2—H7_2 | 0.9500 |
C7_1—C8_1 | 1.28 (6) | C7_2—C8_2 | 1.46 (6) |
C8_1—H8_1 | 0.9500 | C8_2—H8_2 | 0.9500 |
C8_1—C9_1 | 1.38 (6) | C8_2—C9_2 | 1.30 (6) |
C9_1—C10_1 | 1.53 (6) | C9_2—C10_2 | 1.54 (7) |
C10_1—C11_1 | 1.46 (6) | C10_2—C11_2 | 1.44 (6) |
C10_1—C32_1 | 1.57 (6) | C10_2—C32_2 | 1.59 (6) |
C10_1—C33_1 | 1.58 (6) | C10_2—C33_2 | 1.55 (6) |
C11_1—C12_1 | 1.41 (6) | C11_2—C12_2 | 1.46 (6) |
C12_1—H12_1 | 0.9500 | C12_2—H12_2 | 0.9500 |
C12_1—C13_1 | 1.39 (6) | C12_2—C13_2 | 1.34 (6) |
C13_1—H13_1 | 0.9500 | C13_2—H13_2 | 0.9500 |
C13_1—C14_1 | 1.44 (6) | C13_2—C14_2 | 1.50 (6) |
C14_1—C15_1 | 1.40 (6) | C14_2—C15_2 | 1.34 (6) |
C15_1—C16_1 | 1.41 (6) | C15_2—C16_2 | 1.45 (6) |
C15_1—C31_1 | 1.40 (6) | C15_2—C31_2 | 1.52 (7) |
C16_1—C17_1 | 1.44 (6) | C16_2—C17_2 | 1.42 (6) |
C17_1—H17_1 | 0.9500 | C17_2—H17_2 | 0.9500 |
C17_1—C18_1 | 1.38 (6) | C17_2—C18_2 | 1.39 (6) |
C18_1—H18_1 | 0.9500 | C18_2—H18_2 | 0.9500 |
C18_1—C19_1 | 1.42 (6) | C18_2—C19_2 | 1.38 (6) |
C19_1—H19_1 | 0.9500 | C19_2—H19_2 | 0.9500 |
C20_1—C21_1 | 1.47 (6) | C20_2—C21_2 | 1.40 (6) |
C20_1—C25_1 | 1.38 (6) | C20_2—C25_2 | 1.52 (7) |
C21_1—C22_1 | 1.35 (6) | C21_2—C22_2 | 1.29 (6) |
C22_1—C23_1 | 1.30 (6) | C22_2—C23_2 | 1.30 (6) |
C23_1—C24_1 | 1.44 (6) | C23_2—C24_2 | 1.33 (6) |
C24_1—C25_1 | 1.35 (6) | C24_2—C25_2 | 1.45 (6) |
C26_1—C27_1 | 1.48 (6) | C26_2—C27_2 | 1.28 (6) |
C26_1—C31_1 | 1.33 (6) | C26_2—C31_2 | 1.27 (6) |
C27_1—C28_1 | 1.39 (6) | C27_2—C28_2 | 1.44 (7) |
C28_1—C29_1 | 1.30 (6) | C28_2—C29_2 | 1.25 (6) |
C29_1—C30_1 | 1.49 (6) | C29_2—C30_2 | 1.26 (6) |
C30_1—C31_1 | 1.48 (6) | C30_2—C31_2 | 1.49 (7) |
C32_1—H32A_1 | 0.9800 | C32_2—H32A_2 | 0.9800 |
C32_1—H32B_1 | 0.9800 | C32_2—H32B_2 | 0.9800 |
C32_1—H32C_1 | 0.9800 | C32_2—H32C_2 | 0.9800 |
C33_1—H33A_1 | 0.9800 | C33_2—H33A_2 | 0.9800 |
C33_1—H33B_1 | 0.9800 | C33_2—H33B_2 | 0.9800 |
C33_1—H33C_1 | 0.9800 | C33_2—H33C_2 | 0.9800 |
N1_1—Ru1_1—N2_1 | 89.4 (16) | N1_2—Ru1_2—N4_2 | 88.2 (15) |
N1_1—Ru1_1—N3_1 | 166.2 (15) | N2_2—Ru1_2—N1_2 | 81.6 (16) |
N1_1—Ru1_1—N4_1 | 88.1 (15) | N2_2—Ru1_2—N3_2 | 83.1 (16) |
N2_1—Ru1_1—N3_1 | 84.4 (15) | N2_2—Ru1_2—N4_2 | 165.7 (15) |
N2_1—Ru1_1—N4_1 | 96.9 (15) | N3_2—Ru1_2—N1_2 | 100.2 (15) |
N3_1—Ru1_1—N4_1 | 80.5 (15) | N3_2—Ru1_2—N4_2 | 88.8 (16) |
C34_1—Ru1_1—N1_1 | 88.8 (18) | C34_2—Ru1_2—N1_2 | 84.0 (18) |
C34_1—Ru1_1—N2_1 | 89.3 (19) | C34_2—Ru1_2—N2_2 | 92.2 (19) |
C34_1—Ru1_1—N3_1 | 103.3 (19) | C34_2—Ru1_2—N3_2 | 173.1 (19) |
C34_1—Ru1_1—N4_1 | 173.0 (19) | C34_2—Ru1_2—N4_2 | 96.8 (19) |
C34_1—Ru1_1—C35_1 | 87 (2) | C35_2—Ru1_2—N1_2 | 170.2 (19) |
C35_1—Ru1_1—N1_1 | 91.8 (18) | C35_2—Ru1_2—N2_2 | 102 (2) |
C35_1—Ru1_1—N2_1 | 176.3 (18) | C35_2—Ru1_2—N3_2 | 89.3 (19) |
C35_1—Ru1_1—N3_1 | 95.3 (18) | C35_2—Ru1_2—N4_2 | 89.6 (19) |
C35_1—Ru1_1—N4_1 | 86.6 (17) | C35_2—Ru1_2—C34_2 | 87 (2) |
C1_1—N1_1—Ru1_1 | 128 (3) | C1_2—N1_2—Ru1_2 | 130 (3) |
C4_1—N1_1—Ru1_1 | 126 (3) | C1_2—N1_2—C4_2 | 104 (4) |
C4_1—N1_1—C1_1 | 103 (4) | C4_2—N1_2—Ru1_2 | 124 (3) |
C6_1—N2_1—Ru1_1 | 126 (3) | C6_2—N2_2—Ru1_2 | 124 (4) |
C6_1—N2_1—C9_1 | 107 (4) | C6_2—N2_2—C9_2 | 106 (4) |
C9_1—N2_1—Ru1_1 | 127 (3) | C9_2—N2_2—Ru1_2 | 129 (4) |
C11_1—N3_1—Ru1_1 | 127 (3) | C11_2—N3_2—Ru1_2 | 127 (3) |
C14_1—N3_1—Ru1_1 | 121 (3) | C14_2—N3_2—Ru1_2 | 123 (3) |
C14_1—N3_1—C11_1 | 111 (4) | C14_2—N3_2—C11_2 | 110 (4) |
C16_1—N4_1—Ru1_1 | 121 (3) | C16_2—N4_2—Ru1_2 | 124 (3) |
C19_1—N4_1—Ru1_1 | 127 (3) | C16_2—N4_2—C19_2 | 108 (4) |
C19_1—N4_1—C16_1 | 106 (4) | C19_2—N4_2—Ru1_2 | 123 (3) |
N1_1—C1_1—H1_1 | 124.1 | N1_2—C1_2—H1_2 | 123.9 |
N1_1—C1_1—C2_1 | 112 (4) | N1_2—C1_2—C2_2 | 112 (5) |
C2_1—C1_1—H1_1 | 124.1 | C2_2—C1_2—H1_2 | 123.9 |
C1_1—C2_1—H2_1 | 127.1 | C1_2—C2_2—H2_2 | 127.4 |
C3_1—C2_1—C1_1 | 106 (5) | C3_2—C2_2—C1_2 | 105 (5) |
C3_1—C2_1—H2_1 | 127.1 | C3_2—C2_2—H2_2 | 127.4 |
C2_1—C3_1—H3_1 | 126.1 | C2_2—C3_2—H3_2 | 125.7 |
C2_1—C3_1—C4_1 | 108 (5) | C2_2—C3_2—C4_2 | 109 (5) |
C4_1—C3_1—H3_1 | 126.1 | C4_2—C3_2—H3_2 | 125.7 |
N1_1—C4_1—C3_1 | 111 (5) | C3_2—C4_2—N1_2 | 109 (5) |
N1_1—C4_1—C5_1 | 123 (5) | C5_2—C4_2—N1_2 | 122 (5) |
C5_1—C4_1—C3_1 | 126 (5) | C5_2—C4_2—C3_2 | 129 (5) |
C4_1—C5_1—C25_1 | 121 (5) | C4_2—C5_2—C6_2 | 127 (5) |
C6_1—C5_1—C4_1 | 129 (5) | C4_2—C5_2—C25_2 | 119 (5) |
C6_1—C5_1—C25_1 | 110 (5) | C25_2—C5_2—C6_2 | 113 (5) |
C5_1—C6_1—N2_1 | 122 (5) | N2_2—C6_2—C5_2 | 122 (5) |
C5_1—C6_1—C7_1 | 133 (5) | N2_2—C6_2—C7_2 | 111 (5) |
C7_1—C6_1—N2_1 | 105 (4) | C5_2—C6_2—C7_2 | 123 (5) |
C6_1—C7_1—H7_1 | 124.2 | C6_2—C7_2—H7_2 | 129.8 |
C8_1—C7_1—C6_1 | 112 (5) | C8_2—C7_2—C6_2 | 100 (5) |
C8_1—C7_1—H7_1 | 124.2 | C8_2—C7_2—H7_2 | 129.8 |
C7_1—C8_1—H8_1 | 124.6 | C7_2—C8_2—H8_2 | 125.8 |
C7_1—C8_1—C9_1 | 111 (5) | C9_2—C8_2—C7_2 | 108 (5) |
C9_1—C8_1—H8_1 | 124.6 | C9_2—C8_2—H8_2 | 125.8 |
N2_1—C9_1—C10_1 | 122 (4) | N2_2—C9_2—C10_2 | 117 (5) |
C8_1—C9_1—N2_1 | 106 (4) | C8_2—C9_2—N2_2 | 114 (5) |
C8_1—C9_1—C10_1 | 132 (5) | C8_2—C9_2—C10_2 | 128 (5) |
C9_1—C10_1—C32_1 | 105 (4) | C9_2—C10_2—C32_2 | 103 (4) |
C9_1—C10_1—C33_1 | 112 (4) | C9_2—C10_2—C33_2 | 113 (4) |
C11_1—C10_1—C9_1 | 115 (4) | C11_2—C10_2—C9_2 | 117 (4) |
C11_1—C10_1—C32_1 | 105 (4) | C11_2—C10_2—C32_2 | 104 (4) |
C11_1—C10_1—C33_1 | 112 (4) | C11_2—C10_2—C33_2 | 113 (4) |
C32_1—C10_1—C33_1 | 107 (4) | C33_2—C10_2—C32_2 | 104 (4) |
N3_1—C11_1—C10_1 | 123 (4) | N3_2—C11_2—C10_2 | 121 (5) |
N3_1—C11_1—C12_1 | 105 (4) | N3_2—C11_2—C12_2 | 103 (4) |
C12_1—C11_1—C10_1 | 132 (5) | C10_2—C11_2—C12_2 | 136 (5) |
C11_1—C12_1—H12_1 | 125.2 | C11_2—C12_2—H12_2 | 122.1 |
C13_1—C12_1—C11_1 | 110 (5) | C13_2—C12_2—C11_2 | 116 (5) |
C13_1—C12_1—H12_1 | 125.2 | C13_2—C12_2—H12_2 | 122.1 |
C12_1—C13_1—H13_1 | 126.6 | C12_2—C13_2—H13_2 | 129.5 |
C12_1—C13_1—C14_1 | 107 (5) | C12_2—C13_2—C14_2 | 101 (5) |
C14_1—C13_1—H13_1 | 126.6 | C14_2—C13_2—H13_2 | 129.5 |
N3_1—C14_1—C13_1 | 107 (5) | N3_2—C14_2—C13_2 | 110 (5) |
N3_1—C14_1—C15_1 | 121 (5) | C15_2—C14_2—N3_2 | 129 (5) |
C15_1—C14_1—C13_1 | 124 (5) | C15_2—C14_2—C13_2 | 120 (5) |
C14_1—C15_1—C16_1 | 126 (5) | C14_2—C15_2—C16_2 | 126 (5) |
C14_1—C15_1—C31_1 | 116 (5) | C14_2—C15_2—C31_2 | 118 (5) |
C31_1—C15_1—C16_1 | 119 (5) | C16_2—C15_2—C31_2 | 116 (5) |
N4_1—C16_1—C15_1 | 123 (5) | N4_2—C16_2—C15_2 | 123 (5) |
N4_1—C16_1—C17_1 | 109 (5) | N4_2—C16_2—C17_2 | 108 (5) |
C15_1—C16_1—C17_1 | 127 (5) | C17_2—C16_2—C15_2 | 128 (5) |
C16_1—C17_1—H17_1 | 126.4 | C16_2—C17_2—H17_2 | 126.9 |
C18_1—C17_1—C16_1 | 107 (5) | C18_2—C17_2—C16_2 | 106 (5) |
C18_1—C17_1—H17_1 | 126.4 | C18_2—C17_2—H17_2 | 126.9 |
C17_1—C18_1—H18_1 | 127.6 | C17_2—C18_2—H18_2 | 124.8 |
C17_1—C18_1—C19_1 | 105 (5) | C19_2—C18_2—C17_2 | 110 (5) |
C19_1—C18_1—H18_1 | 127.6 | C19_2—C18_2—H18_2 | 124.8 |
N4_1—C19_1—C18_1 | 113 (5) | N4_2—C19_2—H19_2 | 127.1 |
N4_1—C19_1—H19_1 | 123.7 | C18_2—C19_2—N4_2 | 106 (5) |
C18_1—C19_1—H19_1 | 123.7 | C18_2—C19_2—H19_2 | 127.1 |
F1_1—C20_1—C21_1 | 118 (4) | F1_2—C20_2—C21_2 | 126 (5) |
F1_1—C20_1—C25_1 | 118 (5) | F1_2—C20_2—C25_2 | 113 (4) |
C25_1—C20_1—C21_1 | 123 (5) | C21_2—C20_2—C25_2 | 121 (5) |
F2_1—C21_1—C20_1 | 113 (4) | F2_2—C21_2—C20_2 | 111 (5) |
F2_1—C21_1—C22_1 | 131 (5) | C22_2—C21_2—F2_2 | 128 (5) |
C22_1—C21_1—C20_1 | 116 (5) | C22_2—C21_2—C20_2 | 120 (5) |
C21_1—C22_1—F3_1 | 112 (5) | C21_2—C22_2—F3_2 | 114 (5) |
C23_1—C22_1—F3_1 | 125 (5) | C21_2—C22_2—C23_2 | 125 (6) |
C23_1—C22_1—C21_1 | 123 (6) | C23_2—C22_2—F3_2 | 118 (5) |
F4_1—C23_1—C24_1 | 122 (5) | C22_2—C23_2—F4_2 | 121 (6) |
C22_1—C23_1—F4_1 | 118 (5) | C22_2—C23_2—C24_2 | 118 (6) |
C22_1—C23_1—C24_1 | 120 (5) | C24_2—C23_2—F4_2 | 121 (5) |
F5_1—C24_1—C23_1 | 112 (5) | F5_2—C24_2—C25_2 | 113 (5) |
F5_1—C24_1—C25_1 | 126 (5) | C23_2—C24_2—F5_2 | 119 (5) |
C25_1—C24_1—C23_1 | 122 (5) | C23_2—C24_2—C25_2 | 128 (5) |
C20_1—C25_1—C5_1 | 124 (5) | C5_2—C25_2—C20_2 | 125 (5) |
C24_1—C25_1—C5_1 | 119 (5) | C5_2—C25_2—C24_2 | 127 (5) |
C24_1—C25_1—C20_1 | 115 (5) | C24_2—C25_2—C20_2 | 108 (5) |
F6_1—C26_1—C27_1 | 112 (5) | C27_2—C26_2—F6_2 | 103 (5) |
F6_1—C26_1—C31_1 | 124 (5) | C31_2—C26_2—F6_2 | 119 (5) |
C31_1—C26_1—C27_1 | 123 (5) | C31_2—C26_2—C27_2 | 138 (6) |
F7_1—C27_1—C26_1 | 122 (5) | F7_2—C27_2—C28_2 | 113 (5) |
F7_1—C27_1—C28_1 | 116 (5) | C26_2—C27_2—F7_2 | 139 (6) |
C28_1—C27_1—C26_1 | 122 (5) | C26_2—C27_2—C28_2 | 108 (6) |
F8_1—C28_1—C27_1 | 123 (5) | F8_2—C28_2—C27_2 | 123 (5) |
F8_1—C28_1—C29_1 | 118 (5) | C29_2—C28_2—F8_2 | 120 (6) |
C29_1—C28_1—C27_1 | 119 (5) | C29_2—C28_2—C27_2 | 117 (6) |
F9_1—C29_1—C28_1 | 130 (5) | C28_2—C29_2—F9_2 | 119 (6) |
F9_1—C29_1—C30_1 | 111 (5) | C28_2—C29_2—C30_2 | 135 (6) |
C28_1—C29_1—C30_1 | 118 (5) | C30_2—C29_2—F9_2 | 106 (5) |
F10_1—C30_1—C29_1 | 121 (4) | F10_2—C30_2—C31_2 | 111 (5) |
F10_1—C30_1—C31_1 | 114 (4) | C29_2—C30_2—F10_2 | 138 (6) |
C31_1—C30_1—C29_1 | 125 (5) | C29_2—C30_2—C31_2 | 111 (6) |
C15_1—C31_1—C30_1 | 123 (5) | C26_2—C31_2—C15_2 | 121 (5) |
C26_1—C31_1—C15_1 | 125 (5) | C26_2—C31_2—C30_2 | 112 (5) |
C26_1—C31_1—C30_1 | 111 (5) | C30_2—C31_2—C15_2 | 127 (5) |
C10_1—C32_1—H32A_1 | 109.5 | C10_2—C32_2—H32A_2 | 109.5 |
C10_1—C32_1—H32B_1 | 109.5 | C10_2—C32_2—H32B_2 | 109.5 |
C10_1—C32_1—H32C_1 | 109.5 | C10_2—C32_2—H32C_2 | 109.5 |
H32A_1—C32_1—H32B_1 | 109.5 | H32A_2—C32_2—H32B_2 | 109.5 |
H32A_1—C32_1—H32C_1 | 109.5 | H32A_2—C32_2—H32C_2 | 109.5 |
H32B_1—C32_1—H32C_1 | 109.5 | H32B_2—C32_2—H32C_2 | 109.5 |
C10_1—C33_1—H33A_1 | 109.5 | C10_2—C33_2—H33A_2 | 109.5 |
C10_1—C33_1—H33B_1 | 109.5 | C10_2—C33_2—H33B_2 | 109.5 |
C10_1—C33_1—H33C_1 | 109.5 | C10_2—C33_2—H33C_2 | 109.5 |
H33A_1—C33_1—H33B_1 | 109.5 | H33A_2—C33_2—H33B_2 | 109.5 |
H33A_1—C33_1—H33C_1 | 109.5 | H33A_2—C33_2—H33C_2 | 109.5 |
H33B_1—C33_1—H33C_1 | 109.5 | H33B_2—C33_2—H33C_2 | 109.5 |
O1_1—C34_1—Ru1_1 | 180 (4) | O1_2—C34_2—Ru1_2 | 170 (4) |
O2_1—C35_1—Ru1_1 | 175 (4) | O2_2—C35_2—Ru1_2 | 168 (4) |
Ru1_1—N1_1—C1_1—C2_1 | −165 (3) | Ru1_2—N1_2—C4_2—C5_2 | 22 (7) |
Ru1_1—N1_1—C4_1—C3_1 | 162 (3) | Ru1_2—N2_2—C6_2—C5_2 | −33 (6) |
Ru1_1—N1_1—C4_1—C5_1 | −16 (7) | Ru1_2—N2_2—C6_2—C7_2 | 171 (3) |
Ru1_1—N2_1—C6_1—C5_1 | 4 (6) | Ru1_2—N2_2—C9_2—C8_2 | −170 (3) |
Ru1_1—N2_1—C6_1—C7_1 | −177 (3) | Ru1_2—N2_2—C9_2—C10_2 | 15 (6) |
Ru1_1—N2_1—C9_1—C8_1 | 177 (3) | Ru1_2—N3_2—C11_2—C10_2 | 6 (7) |
Ru1_1—N2_1—C9_1—C10_1 | −10 (6) | Ru1_2—N3_2—C11_2—C12_2 | −178 (3) |
Ru1_1—N3_1—C11_1—C10_1 | −20 (6) | Ru1_2—N3_2—C14_2—C13_2 | 178 (3) |
Ru1_1—N3_1—C11_1—C12_1 | 165 (3) | Ru1_2—N3_2—C14_2—C15_2 | −11 (8) |
Ru1_1—N3_1—C14_1—C13_1 | −169 (3) | Ru1_2—N4_2—C16_2—C15_2 | 21 (7) |
Ru1_1—N3_1—C14_1—C15_1 | 40 (6) | Ru1_2—N4_2—C16_2—C17_2 | −168 (3) |
Ru1_1—N4_1—C16_1—C15_1 | −30 (6) | Ru1_2—N4_2—C19_2—C18_2 | 167 (3) |
Ru1_1—N4_1—C16_1—C17_1 | 158 (3) | F1_2—C20_2—C21_2—F2_2 | −5 (7) |
Ru1_1—N4_1—C19_1—C18_1 | −155 (3) | F1_2—C20_2—C21_2—C22_2 | −173 (5) |
F1_1—C20_1—C21_1—F2_1 | −6 (6) | F1_2—C20_2—C25_2—C5_2 | 1 (7) |
F1_1—C20_1—C21_1—C22_1 | 178 (4) | F1_2—C20_2—C25_2—C24_2 | −178 (4) |
F1_1—C20_1—C25_1—C5_1 | 15 (7) | F2_2—C21_2—C22_2—F3_2 | 18 (8) |
F1_1—C20_1—C25_1—C24_1 | 180 (4) | F2_2—C21_2—C22_2—C23_2 | 177 (5) |
F2_1—C21_1—C22_1—F3_1 | 0 (8) | F3_2—C22_2—C23_2—F4_2 | −14 (7) |
F2_1—C21_1—C22_1—C23_1 | −176 (5) | F3_2—C22_2—C23_2—C24_2 | 171 (4) |
F3_1—C22_1—C23_1—F4_1 | 5 (8) | F4_2—C23_2—C24_2—F5_2 | −1 (8) |
F3_1—C22_1—C23_1—C24_1 | −179 (4) | F4_2—C23_2—C24_2—C25_2 | −176 (5) |
F4_1—C23_1—C24_1—F5_1 | −1 (6) | F5_2—C24_2—C25_2—C5_2 | 3 (7) |
F4_1—C23_1—C24_1—C25_1 | 179 (4) | F5_2—C24_2—C25_2—C20_2 | −179 (4) |
F5_1—C24_1—C25_1—C5_1 | −9 (8) | F6_2—C26_2—C27_2—F7_2 | −2 (9) |
F5_1—C24_1—C25_1—C20_1 | −175 (4) | F6_2—C26_2—C27_2—C28_2 | 178 (4) |
F6_1—C26_1—C27_1—F7_1 | 0 (7) | F6_2—C26_2—C31_2—C15_2 | −6 (8) |
F6_1—C26_1—C27_1—C28_1 | 179 (4) | F6_2—C26_2—C31_2—C30_2 | −179 (4) |
F6_1—C26_1—C31_1—C15_1 | 6 (8) | F7_2—C27_2—C28_2—F8_2 | 1 (7) |
F6_1—C26_1—C31_1—C30_1 | −179 (4) | F7_2—C27_2—C28_2—C29_2 | −178 (5) |
F7_1—C27_1—C28_1—F8_1 | 0 (7) | F8_2—C28_2—C29_2—F9_2 | 0 (8) |
F7_1—C27_1—C28_1—C29_1 | 176 (4) | F8_2—C28_2—C29_2—C30_2 | 178 (6) |
F8_1—C28_1—C29_1—F9_1 | −3 (8) | F9_2—C29_2—C30_2—F10_2 | −6 (9) |
F8_1—C28_1—C29_1—C30_1 | −178 (4) | F9_2—C29_2—C30_2—C31_2 | −180 (4) |
F9_1—C29_1—C30_1—F10_1 | 1 (6) | F10_2—C30_2—C31_2—C15_2 | 12 (7) |
F9_1—C29_1—C30_1—C31_1 | 178 (4) | F10_2—C30_2—C31_2—C26_2 | −176 (4) |
F10_1—C30_1—C31_1—C15_1 | −5 (7) | N1_2—C1_2—C2_2—C3_2 | 9 (6) |
F10_1—C30_1—C31_1—C26_1 | 180 (4) | N1_2—C4_2—C5_2—C6_2 | 9 (8) |
N1_1—C1_1—C2_1—C3_1 | 5 (5) | N1_2—C4_2—C5_2—C25_2 | −177 (4) |
N1_1—C4_1—C5_1—C6_1 | −3 (8) | N2_2—Ru1_2—C35_2—O2_2 | −163 (20) |
N1_1—C4_1—C5_1—C25_1 | −176 (4) | N2_2—C6_2—C7_2—C8_2 | 3 (5) |
N2_1—C6_1—C7_1—C8_1 | 0 (5) | N2_2—C9_2—C10_2—C11_2 | 36 (6) |
N2_1—C9_1—C10_1—C11_1 | 43 (6) | N2_2—C9_2—C10_2—C32_2 | 150 (4) |
N2_1—C9_1—C10_1—C32_1 | 158 (4) | N2_2—C9_2—C10_2—C33_2 | −98 (5) |
N2_1—C9_1—C10_1—C33_1 | −87 (5) | N3_2—Ru1_2—C35_2—O2_2 | −81 (20) |
N3_1—C11_1—C12_1—C13_1 | 7 (5) | N3_2—C11_2—C12_2—C13_2 | 0 (6) |
N3_1—C14_1—C15_1—C16_1 | 1 (8) | N3_2—C14_2—C15_2—C16_2 | −1 (9) |
N3_1—C14_1—C15_1—C31_1 | 175 (4) | N3_2—C14_2—C15_2—C31_2 | 180 (5) |
N4_1—C16_1—C17_1—C18_1 | −5 (5) | N4_2—Ru1_2—C35_2—O2_2 | 8 (20) |
C1_1—N1_1—C4_1—C3_1 | −2 (5) | N4_2—C16_2—C17_2—C18_2 | 8 (6) |
C1_1—N1_1—C4_1—C5_1 | −180 (4) | C1_2—N1_2—C4_2—C3_2 | 6 (5) |
C1_1—C2_1—C3_1—C4_1 | −6 (5) | C1_2—N1_2—C4_2—C5_2 | −173 (5) |
C2_1—C3_1—C4_1—N1_1 | 5 (6) | C1_2—C2_2—C3_2—C4_2 | −4 (5) |
C2_1—C3_1—C4_1—C5_1 | −177 (5) | C2_2—C3_2—C4_2—N1_2 | −1 (6) |
C3_1—C4_1—C5_1—C6_1 | 179 (5) | C2_2—C3_2—C4_2—C5_2 | 178 (5) |
C3_1—C4_1—C5_1—C25_1 | 6 (7) | C3_2—C4_2—C5_2—C6_2 | −169 (5) |
C4_1—N1_1—C1_1—C2_1 | −2 (5) | C3_2—C4_2—C5_2—C25_2 | 5 (9) |
C4_1—C5_1—C6_1—N2_1 | 10 (8) | C4_2—N1_2—C1_2—C2_2 | −9 (5) |
C4_1—C5_1—C6_1—C7_1 | −169 (5) | C4_2—C5_2—C6_2—N2_2 | −4 (9) |
C4_1—C5_1—C25_1—C20_1 | 56 (7) | C4_2—C5_2—C6_2—C7_2 | 149 (5) |
C4_1—C5_1—C25_1—C24_1 | −109 (6) | C4_2—C5_2—C25_2—C20_2 | 97 (6) |
C5_1—C6_1—C7_1—C8_1 | 179 (5) | C4_2—C5_2—C25_2—C24_2 | −84 (7) |
C6_1—N2_1—C9_1—C8_1 | 0 (5) | C5_2—C6_2—C7_2—C8_2 | −153 (5) |
C6_1—N2_1—C9_1—C10_1 | 173 (4) | C6_2—N2_2—C9_2—C8_2 | 6 (6) |
C6_1—C5_1—C25_1—C20_1 | −118 (5) | C6_2—N2_2—C9_2—C10_2 | −169 (4) |
C6_1—C5_1—C25_1—C24_1 | 77 (6) | C6_2—C5_2—C25_2—C20_2 | −88 (6) |
C6_1—C7_1—C8_1—C9_1 | 0 (6) | C6_2—C5_2—C25_2—C24_2 | 91 (6) |
C7_1—C8_1—C9_1—N2_1 | 0 (5) | C6_2—C7_2—C8_2—C9_2 | 0 (5) |
C7_1—C8_1—C9_1—C10_1 | −171 (5) | C7_2—C8_2—C9_2—N2_2 | −4 (6) |
C8_1—C9_1—C10_1—C11_1 | −147 (5) | C7_2—C8_2—C9_2—C10_2 | 171 (5) |
C8_1—C9_1—C10_1—C32_1 | −32 (7) | C8_2—C9_2—C10_2—C11_2 | −139 (6) |
C8_1—C9_1—C10_1—C33_1 | 84 (6) | C8_2—C9_2—C10_2—C32_2 | −24 (7) |
C9_1—N2_1—C6_1—C5_1 | −179 (4) | C8_2—C9_2—C10_2—C33_2 | 88 (6) |
C9_1—N2_1—C6_1—C7_1 | 0 (5) | C9_2—N2_2—C6_2—C5_2 | 151 (5) |
C9_1—C10_1—C11_1—N3_1 | −27 (6) | C9_2—N2_2—C6_2—C7_2 | −5 (5) |
C9_1—C10_1—C11_1—C12_1 | 146 (5) | C9_2—C10_2—C11_2—N3_2 | −46 (7) |
C10_1—C11_1—C12_1—C13_1 | −167 (5) | C9_2—C10_2—C11_2—C12_2 | 140 (6) |
C11_1—N3_1—C14_1—C13_1 | 2 (5) | C10_2—C11_2—C12_2—C13_2 | 175 (6) |
C11_1—N3_1—C14_1—C15_1 | −149 (4) | C11_2—N3_2—C14_2—C13_2 | 0 (6) |
C11_1—C12_1—C13_1—C14_1 | −6 (5) | C11_2—N3_2—C14_2—C15_2 | 171 (5) |
C12_1—C13_1—C14_1—N3_1 | 3 (5) | C11_2—C12_2—C13_2—C14_2 | 0 (6) |
C12_1—C13_1—C14_1—C15_1 | 153 (5) | C12_2—C13_2—C14_2—N3_2 | 0 (5) |
C13_1—C14_1—C15_1—C16_1 | −145 (5) | C12_2—C13_2—C14_2—C15_2 | −172 (5) |
C13_1—C14_1—C15_1—C31_1 | 29 (7) | C13_2—C14_2—C15_2—C16_2 | 170 (5) |
C14_1—N3_1—C11_1—C10_1 | 169 (4) | C13_2—C14_2—C15_2—C31_2 | −10 (7) |
C14_1—N3_1—C11_1—C12_1 | −5 (5) | C14_2—N3_2—C11_2—C10_2 | −176 (5) |
C14_1—C15_1—C16_1—N4_1 | −5 (8) | C14_2—N3_2—C11_2—C12_2 | 0 (5) |
C14_1—C15_1—C16_1—C17_1 | 165 (5) | C14_2—C15_2—C16_2—N4_2 | −5 (8) |
C14_1—C15_1—C31_1—C26_1 | −102 (6) | C14_2—C15_2—C16_2—C17_2 | −173 (5) |
C14_1—C15_1—C31_1—C30_1 | 84 (6) | C14_2—C15_2—C31_2—C26_2 | −101 (6) |
C15_1—C16_1—C17_1—C18_1 | −176 (5) | C14_2—C15_2—C31_2—C30_2 | 70 (7) |
C16_1—N4_1—C19_1—C18_1 | −3 (5) | C15_2—C16_2—C17_2—C18_2 | 178 (5) |
C16_1—C15_1—C31_1—C26_1 | 72 (7) | C16_2—N4_2—C19_2—C18_2 | 8 (5) |
C16_1—C15_1—C31_1—C30_1 | −102 (6) | C16_2—C15_2—C31_2—C26_2 | 79 (7) |
C16_1—C17_1—C18_1—C19_1 | 2 (5) | C16_2—C15_2—C31_2—C30_2 | −109 (6) |
C17_1—C18_1—C19_1—N4_1 | 1 (5) | C16_2—C17_2—C18_2—C19_2 | −2 (6) |
C19_1—N4_1—C16_1—C15_1 | 177 (4) | C17_2—C18_2—C19_2—N4_2 | −4 (6) |
C19_1—N4_1—C16_1—C17_1 | 5 (5) | C19_2—N4_2—C16_2—C15_2 | 180 (4) |
C20_1—C21_1—C22_1—F3_1 | 174 (4) | C19_2—N4_2—C16_2—C17_2 | −10 (5) |
C20_1—C21_1—C22_1—C23_1 | −1 (7) | C20_2—C21_2—C22_2—F3_2 | −176 (4) |
C21_1—C20_1—C25_1—C5_1 | −176 (5) | C20_2—C21_2—C22_2—C23_2 | −17 (9) |
C21_1—C20_1—C25_1—C24_1 | −11 (7) | C21_2—C20_2—C25_2—C5_2 | 177 (5) |
C21_1—C22_1—C23_1—F4_1 | 179 (4) | C21_2—C20_2—C25_2—C24_2 | −1 (7) |
C21_1—C22_1—C23_1—C24_1 | −4 (8) | C21_2—C22_2—C23_2—F4_2 | −173 (5) |
C22_1—C23_1—C24_1—F5_1 | −177 (5) | C21_2—C22_2—C23_2—C24_2 | 13 (9) |
C22_1—C23_1—C24_1—C25_1 | 3 (8) | C22_2—C23_2—C24_2—F5_2 | 173 (5) |
C23_1—C24_1—C25_1—C5_1 | 171 (5) | C22_2—C23_2—C24_2—C25_2 | −2 (9) |
C23_1—C24_1—C25_1—C20_1 | 5 (7) | C23_2—C24_2—C25_2—C5_2 | 178 (5) |
C25_1—C5_1—C6_1—N2_1 | −177 (4) | C23_2—C24_2—C25_2—C20_2 | −3 (7) |
C25_1—C5_1—C6_1—C7_1 | 4 (7) | C25_2—C5_2—C6_2—N2_2 | −179 (5) |
C25_1—C20_1—C21_1—F2_1 | −175 (4) | C25_2—C5_2—C6_2—C7_2 | −25 (7) |
C25_1—C20_1—C21_1—C22_1 | 9 (7) | C25_2—C20_2—C21_2—F2_2 | 179 (4) |
C26_1—C27_1—C28_1—F8_1 | −179 (4) | C25_2—C20_2—C21_2—C22_2 | 10 (8) |
C26_1—C27_1—C28_1—C29_1 | −3 (8) | C26_2—C27_2—C28_2—F8_2 | −179 (5) |
C27_1—C26_1—C31_1—C15_1 | −174 (5) | C26_2—C27_2—C28_2—C29_2 | 2 (7) |
C27_1—C26_1—C31_1—C30_1 | 1 (7) | C27_2—C26_2—C31_2—C15_2 | 173 (6) |
C27_1—C28_1—C29_1—F9_1 | −180 (5) | C27_2—C26_2—C31_2—C30_2 | 0 (10) |
C27_1—C28_1—C29_1—C30_1 | 6 (7) | C27_2—C28_2—C29_2—F9_2 | 179 (4) |
C28_1—C29_1—C30_1—F10_1 | 176 (4) | C27_2—C28_2—C29_2—C30_2 | −3 (10) |
C28_1—C29_1—C30_1—C31_1 | −6 (8) | C28_2—C29_2—C30_2—F10_2 | 176 (6) |
C29_1—C30_1—C31_1—C15_1 | 178 (5) | C28_2—C29_2—C30_2—C31_2 | 2 (10) |
C29_1—C30_1—C31_1—C26_1 | 2 (7) | C29_2—C30_2—C31_2—C15_2 | −173 (5) |
C31_1—C15_1—C16_1—N4_1 | −179 (5) | C29_2—C30_2—C31_2—C26_2 | −1 (7) |
C31_1—C15_1—C16_1—C17_1 | −9 (8) | C31_2—C15_2—C16_2—N4_2 | 174 (5) |
C31_1—C26_1—C27_1—F7_1 | −180 (4) | C31_2—C15_2—C16_2—C17_2 | 6 (8) |
C31_1—C26_1—C27_1—C28_1 | −1 (8) | C31_2—C26_2—C27_2—F7_2 | 178 (6) |
C32_1—C10_1—C11_1—N3_1 | −142 (4) | C31_2—C26_2—C27_2—C28_2 | −1 (10) |
C32_1—C10_1—C11_1—C12_1 | 31 (7) | C32_2—C10_2—C11_2—N3_2 | −160 (4) |
C33_1—C10_1—C11_1—N3_1 | 102 (5) | C32_2—C10_2—C11_2—C12_2 | 26 (8) |
C33_1—C10_1—C11_1—C12_1 | −84 (6) | C33_2—C10_2—C11_2—N3_2 | 88 (6) |
Ru1_2—N1_2—C1_2—C2_2 | 155 (3) | C33_2—C10_2—C11_2—C12_2 | −86 (7) |
Ru1_2—N1_2—C4_2—C3_2 | −159 (3) | C34_2—Ru1_2—C35_2—O2_2 | 105 (20) |