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Dicarbon­yl[10,10-dimethyl-5,15-bis­(penta­fluoro­phen­yl)biladiene]ruthenium(II), [Ru(C33H16F10N4)(CO)2] or Ru(CO)2[DMBil1], is the first reported ruthenium(II) cis-dicarbonyl tetra­pyrrole complex. The neutral complex sports two carbonyls and an oligo­tetra­pyrrolic biladiene ligand. Notably, the biladiene adopts a coordination geometry that is well distorted from square planar and much more closely approximates a seesaw arrangement. Accordingly, Ru(CO)2[DMBil1] is not only the first ruthenium cis-dicarbonyl with a tetra­pyrrole ligand, but also the first metal biladiene complex in which the tetra­pyrrole does not adopt a (pseudo-)square-planar coordination geometry. Ru(CO)2[DMBil1] is weakly luminescent, displaying λem = 552 nm upon excitation at λex = 500 nm, supports two reversible 1 e reductions at −1.45 and −1.73 V (versus Fc+/Fc), and has significant absorption features at 481 and 531 nm, suggesting suitability for photo­catalytic and photosensitization applications. While the structure of Ru(CO)2[DMBil1] was initially determined by X-ray diffraction, a traditionally acceptable quality structure could not be obtained (despite multiple attempts) because of consistently poor crystal quality. An independent structure obtained from electron diffraction experiments corroborates the structure of this unusual biladiene complex.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229624007083/nh3002sup1.cif
Contains datablocks global, joer349, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229624007083/nh3002Isup2.hkl
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229624007083/nh3002joer349sup3.hkl
Contains datablock joer349

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229624007083/nh3002sup4.pdf
Supplementary material

CCDC references: 2371918; 2371919

Computing details top

Dicarbonyl[10,10-dimethyl-5,15-bis(pentafluorophenyl)biladiene]ruthenium(II) (I) top
Crystal data top
[Ru(C33H16F10N4)(CO)2]Z = 4
Mr = 815.7F(000) = 546.628
Triclinic, P1Cell 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 1Dx = 1.748 Mg m3
a = 9.567 (2) ÅElectron radiation, λ = 0.02851 Å
b = 15.341 (3) ÅCell parameters from 4199 reflections
c = 21.282 (4) Åθ = 0.04–0.9°
α = 92.30 (3)°µ = 0 mm1
β = 90.83 (3)°T = 298 K
γ = 96.64 (3)°Wedge-shaped, red
V = 3099.3 (11) Å30.003 × 0.003 × 0.0002 mm
Data collection top
Eldico ED-1
diffractometer
3581 reflections with I > 3σ(I)
Radiation source: LaB6Rint = 0
Detector resolution: 13.33 pixels mm-1θmax = 0.8°, θmin = 0.1°
continuous rotation 3D ED scansh = 77
16012 measured reflectionsk = 1415
7176 independent reflectionsl = 2121
Refinement top
Refinement on F128 constraints
R[F2 > 2σ(F2)] = 0.099Primary atom site location: structure-invariant direct methods
wR(F2) = 0.104H-atom parameters constrained
S = 1.93Weighting 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 parametersΔρmax = 0.39 e Å3
24 restraintsΔρmin = 0.36 e Å3
Special details top

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.5057 (11)0.7120 (10)0.4622 (5)0.071 (4)*
C20.5332 (12)0.6239 (9)0.4577 (5)0.078 (4)*
C30.4129 (10)0.5690 (9)0.4339 (4)0.069 (3)*
C40.3114 (10)0.6287 (8)0.4237 (4)0.044 (3)*
C50.1733 (9)0.6009 (7)0.4021 (4)0.035 (3)*
C60.0711 (9)0.6570 (7)0.3922 (4)0.030 (3)*
C70.0704 (10)0.6317 (9)0.3795 (4)0.051 (3)*
C80.1403 (12)0.7065 (8)0.3804 (4)0.057 (3)*
C90.0343 (10)0.7798 (9)0.3905 (4)0.052 (3)*
C100.0674 (9)0.8723 (7)0.3975 (4)0.040 (3)*
C110.1958 (8)0.8816 (7)0.3573 (4)0.058 (3)*
C120.1005 (10)0.8911 (8)0.4662 (4)0.074 (4)*
C130.0547 (10)0.9340 (8)0.3762 (4)0.046 (3)*
C140.0436 (11)1.0174 (8)0.3484 (4)0.064 (3)*
C150.1760 (10)1.0500 (9)0.3250 (4)0.061 (3)*
C160.2650 (10)0.9841 (8)0.3384 (4)0.048 (3)*
C170.3822 (11)0.9635 (8)0.3008 (5)0.051 (3)*
C180.4253 (10)0.8797 (8)0.2946 (4)0.045 (3)*
C190.5277 (10)0.8566 (8)0.2473 (5)0.062 (4)*
C200.5279 (10)0.7650 (9)0.2539 (5)0.059 (3)*
C210.4345 (9)0.7342 (9)0.3025 (4)0.057 (3)*
C340.2300 (11)0.8450 (9)0.4980 (5)0.065 (4)*
C350.4472 (10)0.9016 (8)0.4376 (4)0.053 (3)*
C360.9278 (12)0.5194 (8)0.0832 (5)0.079 (4)*
C370.9420 (13)0.4448 (9)0.1213 (5)0.085 (4)*
C380.8295 (11)0.4230 (9)0.1559 (5)0.077 (4)*
C390.7341 (11)0.4928 (9)0.1456 (5)0.062 (3)*
C400.6031 (11)0.4949 (9)0.1747 (5)0.064 (3)*
C410.5142 (12)0.5576 (9)0.1593 (5)0.067 (4)*
C420.3684 (12)0.5529 (9)0.1814 (5)0.088 (4)*
C430.3093 (13)0.6157 (9)0.1504 (5)0.086 (4)*
C440.4103 (11)0.6595 (9)0.1126 (5)0.066 (4)*
C450.3941 (11)0.7238 (9)0.0687 (5)0.071 (4)*
C460.2633 (13)0.7722 (11)0.0895 (6)0.130 (6)*
C470.3512 (12)0.6889 (9)0.0040 (5)0.107 (5)*
C480.5138 (11)0.8008 (9)0.0668 (4)0.057 (3)*
C490.5104 (12)0.8898 (9)0.0635 (5)0.079 (4)*
C500.6466 (11)0.9300 (10)0.0726 (5)0.081 (4)*
C510.7304 (10)0.8630 (8)0.0867 (4)0.048 (3)*
C520.8550 (10)0.8761 (8)0.1219 (4)0.046 (3)*
C530.9013 (9)0.8087 (8)0.1579 (4)0.037 (3)*
C541.0164 (9)0.8197 (8)0.2063 (4)0.047 (3)*
C551.0210 (9)0.7407 (8)0.2322 (4)0.048 (3)*
C560.9114 (8)0.6821 (8)0.2050 (4)0.049 (3)*
C690.8856 (11)0.7015 (9)0.0310 (5)0.067 (4)*
C700.6507 (12)0.6063 (10)0.0029 (6)0.084 (4)*
N10.3672 (9)0.7137 (7)0.4408 (4)0.038 (3)*
N20.0953 (9)0.7468 (7)0.3973 (4)0.035 (2)*
N30.1878 (9)0.9162 (7)0.3718 (4)0.048 (3)*
N40.3707 (9)0.8063 (8)0.3259 (4)0.042 (3)*
N50.7972 (11)0.5471 (8)0.1002 (5)0.068 (3)*
N60.5340 (10)0.6224 (8)0.1190 (4)0.058 (3)*
N70.6505 (10)0.7833 (8)0.0798 (4)0.049 (3)*
N80.8401 (8)0.7242 (7)0.1588 (4)0.041 (3)*
O10.2013 (11)0.8528 (9)0.5469 (6)0.085 (4)*
O20.5460 (10)0.9458 (8)0.4501 (4)0.066 (3)*
O30.9761 (12)0.7285 (10)0.0010 (5)0.089 (4)*
O40.6220 (14)0.5607 (12)0.0421 (7)0.124 (5)*
Ru10.2842 (2)0.82313 (17)0.41644 (10)0.0299 (10)
Ru20.7254 (2)0.6639 (2)0.07873 (11)0.0497 (13)
H10.5764750.7667290.4787130.0854*
H20.6301930.6016620.4703030.0939*
H30.4010990.4998830.4255470.0822*
H70.1176470.5662850.3706210.0607*
H80.250050.7086950.3747250.0678*
H12A0.1240760.9566690.47230.0894*
H12B0.0121470.882180.4949180.0894*
H11A0.1749630.8661320.3096220.069*
H11B0.2819410.8380960.3723140.069*
H11C0.2207080.947090.3617990.069*
H12C0.1882860.8473570.479320.0894*
H140.0489751.0490470.3460690.0771*
H150.2032751.1098310.3024610.0728*
H190.5864560.89810.2161580.0748*
H200.5887560.7246470.2265610.0713*
H210.4169730.6690960.3179290.0683*
H360.999370.5471550.0498880.0944*
H371.0326130.4110320.1215640.1025*
H380.8110270.3681180.1846580.0923*
H420.3198650.509790.214420.1055*
H430.2034990.629150.1542370.1037*
H46A0.2488530.8220350.0577090.1563*
H46B0.2820460.8006990.1354340.1563*
H46C0.1716920.7261420.089070.1563*
H47A0.2519190.6504330.0053930.1285*
H47B0.3441170.7419380.0258560.1285*
H47C0.4271170.6494650.0135210.1285*
H490.4197850.9218210.0553990.0946*
H500.6814010.9978140.0695930.0974*
H541.0827020.878430.2182620.0566*
H551.0943260.7259770.2669110.058*
H560.8860830.615940.2173330.0586*
C63a0.9041 (6)1.0237 (4)0.1768 (3)0.065 (4)
C64a0.9760 (10)1.1078 (5)0.1800 (4)0.076 (3)
C65a1.0755 (10)1.1333 (6)0.1355 (5)0.083 (3)
C66a1.1050 (11)1.0743 (7)0.0877 (5)0.078 (3)
C67a1.0328 (10)0.9904 (7)0.0849 (4)0.067 (4)
C68a0.9328 (10)0.9645 (5)0.1291 (4)0.061 (4)
F16a0.8132 (9)1.0016 (6)0.2188 (4)0.086 (6)
F17a0.9505 (11)1.1622 (6)0.2246 (5)0.106 (5)
F18a1.1420 (12)1.2110 (7)0.1384 (5)0.119 (5)
F19a1.1982 (11)1.0965 (8)0.0467 (5)0.110 (6)
F20a1.0606 (11)0.9370 (7)0.0400 (4)0.088 (6)
C63b0.4578 (9)0.3632 (5)0.2148 (3)0.083 (5)
C64b0.4137 (10)0.3112 (7)0.2643 (4)0.097 (4)
C65b0.4732 (11)0.3285 (7)0.3240 (5)0.107 (4)
C66b0.5790 (12)0.3977 (7)0.3345 (5)0.104 (4)
C67b0.6228 (12)0.4493 (7)0.2848 (5)0.092 (5)
C68b0.5633 (12)0.4326 (7)0.2250 (4)0.081 (5)
F16b0.4017 (14)0.3456 (8)0.1599 (4)0.096 (9)
F17b0.3171 (14)0.2465 (8)0.2547 (6)0.124 (8)
F18b0.4324 (15)0.2804 (9)0.3697 (5)0.144 (7)
F19b0.6366 (15)0.4137 (9)0.3892 (5)0.137 (8)
F20b0.7199 (15)0.5135 (8)0.2955 (6)0.115 (9)
C63c0.4220 (7)1.0405 (5)0.2005 (3)0.060 (4)
C64c0.4958 (10)1.1058 (7)0.1667 (4)0.072 (3)
C65c0.5990 (11)1.1653 (7)0.1960 (5)0.081 (3)
C66c0.6283 (11)1.1606 (7)0.2598 (5)0.076 (3)
C67c0.5540 (11)1.0952 (7)0.2933 (5)0.063 (4)
C68c0.4509 (11)1.0353 (7)0.2642 (4)0.056 (4)
F16c0.3263 (12)0.9866 (8)0.1724 (6)0.081 (7)
F17c0.4679 (13)1.1113 (9)0.1079 (5)0.101 (6)
F18c0.6672 (14)1.2257 (8)0.1647 (6)0.120 (6)
F19c0.7221 (13)1.2159 (9)0.2877 (6)0.112 (6)
F20c0.5834 (14)1.0913 (9)0.3521 (5)0.085 (7)
C63d0.1211 (8)0.4478 (4)0.4382 (3)0.046 (3)
C64d0.0852 (11)0.3586 (5)0.4249 (4)0.062 (3)
C65d0.0609 (12)0.3266 (6)0.3633 (5)0.069 (3)
C66d0.0710 (11)0.3841 (7)0.3144 (4)0.066 (3)
C67d0.1067 (12)0.4732 (6)0.3280 (4)0.056 (3)
C68d0.1316 (12)0.5055 (5)0.3895 (4)0.044 (3)
F16d0.1421 (13)0.4757 (7)0.4956 (4)0.060 (6)
F17d0.0740 (15)0.3053 (7)0.4700 (5)0.096 (5)
F18d0.0277 (16)0.2442 (6)0.3510 (6)0.105 (5)
F19d0.0469 (14)0.3557 (8)0.2572 (5)0.098 (5)
F20d0.1167 (15)0.5252 (8)0.2821 (5)0.084 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.0197 (13)0.034 (2)0.0360 (15)0.0041 (13)0.0007 (10)0.0005 (14)
Ru20.0452 (17)0.057 (3)0.0454 (18)0.0052 (17)0.0051 (13)0.0091 (17)
C63a0.077 (5)0.067 (8)0.049 (6)0.008 (5)0.003 (4)0.003 (5)
C64a0.088 (5)0.063 (7)0.073 (5)0.006 (5)0.008 (3)0.004 (4)
C65a0.081 (5)0.072 (6)0.091 (5)0.017 (4)0.012 (4)0.022 (4)
C66a0.064 (5)0.097 (7)0.069 (5)0.020 (4)0.004 (3)0.027 (4)
C67a0.055 (6)0.094 (7)0.045 (5)0.015 (5)0.001 (4)0.008 (4)
C68a0.061 (6)0.073 (6)0.043 (7)0.014 (4)0.002 (5)0.002 (5)
F16a0.108 (8)0.084 (14)0.061 (9)0.008 (8)0.027 (7)0.005 (8)
F17a0.133 (10)0.072 (10)0.109 (6)0.001 (8)0.001 (6)0.018 (6)
F18a0.117 (9)0.077 (6)0.156 (10)0.031 (6)0.009 (7)0.027 (6)
F19a0.082 (7)0.142 (13)0.100 (7)0.033 (7)0.015 (6)0.041 (7)
F20a0.068 (13)0.132 (10)0.055 (7)0.018 (9)0.013 (7)0.011 (6)
C63b0.069 (9)0.079 (8)0.092 (8)0.020 (6)0.008 (6)0.011 (6)
C64b0.077 (9)0.086 (7)0.120 (7)0.017 (5)0.013 (5)0.003 (5)
C65b0.119 (7)0.100 (7)0.099 (7)0.009 (5)0.026 (5)0.013 (5)
C66b0.133 (8)0.105 (7)0.069 (7)0.012 (5)0.000 (5)0.006 (5)
C67b0.102 (9)0.103 (7)0.061 (8)0.030 (6)0.015 (6)0.002 (5)
C68b0.080 (8)0.090 (9)0.062 (8)0.031 (6)0.010 (6)0.009 (6)
F16b0.091 (17)0.073 (14)0.113 (16)0.019 (11)0.034 (12)0.022 (10)
F17b0.086 (17)0.093 (10)0.185 (12)0.027 (9)0.013 (9)0.012 (8)
F18b0.185 (12)0.120 (13)0.126 (12)0.006 (9)0.053 (8)0.033 (9)
F19b0.213 (16)0.124 (11)0.068 (13)0.004 (10)0.019 (10)0.012 (9)
F20b0.134 (19)0.125 (12)0.070 (14)0.053 (11)0.041 (11)0.002 (9)
C63c0.065 (6)0.047 (7)0.066 (7)0.010 (5)0.005 (5)0.017 (5)
C64c0.073 (5)0.057 (7)0.085 (5)0.001 (4)0.021 (4)0.029 (5)
C65c0.073 (5)0.049 (6)0.118 (5)0.010 (4)0.029 (3)0.028 (4)
C66c0.059 (5)0.045 (6)0.121 (6)0.019 (4)0.012 (4)0.010 (5)
C67c0.054 (5)0.041 (8)0.090 (6)0.015 (5)0.004 (4)0.008 (5)
C68c0.060 (6)0.035 (8)0.069 (6)0.015 (5)0.004 (4)0.013 (5)
F16c0.093 (13)0.081 (11)0.060 (14)0.029 (9)0.004 (9)0.012 (9)
F17c0.113 (8)0.107 (13)0.085 (10)0.001 (8)0.026 (6)0.046 (9)
F18c0.115 (9)0.079 (11)0.161 (8)0.028 (7)0.050 (6)0.048 (7)
F19c0.081 (10)0.076 (10)0.165 (12)0.048 (8)0.010 (8)0.001 (8)
F20c0.076 (8)0.075 (16)0.095 (11)0.029 (9)0.023 (7)0.004 (10)
C63d0.052 (5)0.045 (6)0.042 (5)0.005 (4)0.001 (4)0.008 (4)
C64d0.085 (5)0.043 (5)0.059 (5)0.008 (4)0.002 (3)0.008 (4)
C65d0.097 (5)0.044 (4)0.066 (5)0.008 (3)0.009 (3)0.001 (3)
C66d0.094 (5)0.049 (5)0.054 (5)0.009 (4)0.014 (3)0.006 (4)
C67d0.080 (6)0.048 (5)0.039 (5)0.008 (4)0.006 (4)0.001 (4)
C68d0.051 (7)0.044 (4)0.036 (7)0.003 (4)0.002 (5)0.004 (4)
F16d0.088 (9)0.052 (13)0.039 (9)0.001 (8)0.002 (6)0.012 (8)
F17d0.169 (10)0.046 (9)0.072 (8)0.007 (8)0.000 (6)0.017 (7)
F18d0.178 (10)0.045 (5)0.089 (10)0.001 (5)0.011 (7)0.006 (5)
F19d0.168 (8)0.061 (12)0.060 (8)0.008 (7)0.026 (5)0.015 (7)
F20d0.160 (12)0.056 (9)0.035 (10)0.007 (8)0.007 (8)0.000 (8)
Geometric parameters (Å, º) top
C1—C21.41 (2)C47—H47B1.06
C1—N11.398 (14)C47—H47C1.06
C1—H11.06C48—C491.37 (2)
C2—C31.421 (15)C48—N71.391 (15)
C2—H21.06C49—C501.383 (16)
C3—C41.430 (17)C49—H491.06
C3—H31.06C50—C511.413 (19)
C4—C51.405 (13)C50—H501.06
C4—N11.384 (16)C51—C521.389 (13)
C5—C61.394 (15)C51—N71.367 (16)
C5—C68d1.484 (13)C52—C531.418 (16)
C6—C71.384 (12)C52—C68a1.471 (14)
C6—N21.370 (15)C53—C541.487 (12)
C7—C81.393 (18)C53—N81.360 (15)
C7—H71.06C54—C551.356 (16)
C8—C91.431 (15)C54—H541.06
C8—H81.06C55—C561.402 (13)
C9—C101.492 (17)C55—H551.06
C9—N21.400 (14)C56—N81.408 (14)
C10—C111.510 (12)C56—H561.06
C10—C121.525 (13)C69—O31.133 (16)
C10—C131.504 (13)C69—Ru21.898 (11)
C11—H11A1.06C70—O41.17 (2)
C11—H11B1.06C70—Ru21.898 (13)
C11—H11C1.06N1—Ru12.020 (11)
C12—H12A1.06N2—Ru12.062 (9)
C12—H12B1.06N3—Ru12.045 (11)
C12—H12C1.06N4—Ru12.127 (9)
C13—C141.444 (17)N5—Ru22.059 (13)
C13—N31.337 (14)N6—Ru22.076 (10)
C14—C151.413 (14)N7—Ru22.041 (13)
C14—H141.06N8—Ru22.132 (8)
C15—C161.429 (17)C63a—C64a1.388 (10)
C15—H151.06C63a—C68a1.388 (10)
C16—C171.445 (15)C63a—F16a1.284 (11)
C16—N31.425 (15)C64a—C65a1.388 (13)
C17—C181.396 (18)C64a—F17a1.284 (13)
C17—C68c1.473 (15)C65a—C66a1.388 (14)
C18—C191.475 (14)C65a—F18a1.284 (14)
C18—N41.386 (16)C66a—C67a1.388 (14)
C19—C201.418 (19)C66a—F19a1.284 (14)
C19—H191.06C67a—C68a1.388 (13)
C20—C211.436 (14)C67a—F20a1.284 (14)
C20—H201.06C63b—C64b1.388 (12)
C21—N41.400 (17)C63b—C68b1.388 (13)
C21—H211.06C63b—F16b1.284 (12)
C34—O11.086 (17)C64b—C65b1.388 (13)
C34—Ru11.848 (12)C64b—F17b1.284 (15)
C35—O21.120 (14)C65b—C66b1.388 (15)
C35—Ru11.894 (10)C65b—F18b1.284 (16)
C36—C371.446 (18)C66b—C67b1.388 (15)
C36—N51.412 (16)C66b—F19b1.284 (16)
C36—H361.06C67b—C68b1.388 (14)
C37—C381.332 (15)C67b—F20b1.284 (16)
C37—H371.06C63c—C64c1.388 (12)
C38—C391.505 (19)C63c—C68c1.388 (12)
C38—H381.06C63c—F16c1.284 (13)
C39—C401.409 (15)C64c—C65c1.388 (13)
C39—N51.398 (16)C64c—F17c1.284 (13)
C40—C411.401 (19)C65c—C66c1.388 (15)
C40—C68b1.488 (15)C65c—F18c1.284 (16)
C41—C421.473 (16)C66c—C67c1.388 (15)
C41—N61.338 (17)C66c—F19c1.284 (16)
C42—C431.360 (19)C67c—C68c1.388 (14)
C42—H421.06C67c—F20c1.284 (14)
C43—C441.396 (16)C63d—C64d1.388 (10)
C43—H431.06C63d—C68d1.388 (11)
C44—C451.405 (18)C63d—F16d1.284 (10)
C44—N61.379 (16)C64d—C65d1.388 (13)
C45—C461.585 (19)C64d—F17d1.284 (14)
C45—C471.492 (15)C65d—C66d1.388 (14)
C45—C481.549 (16)C65d—F18d1.284 (13)
C46—H46A1.06C66d—C67d1.388 (14)
C46—H46B1.06C66d—F19d1.284 (14)
C46—H46C1.06C67d—C68d1.388 (13)
C47—H47A1.06C67d—F20d1.284 (15)
C2—C1—N1106.9 (10)C53—C54—C55107.4 (9)
C2—C1—H1126.55C53—C54—H54126.32
N1—C1—H1126.54C55—C54—H54126.32
C1—C2—C3110.6 (11)C54—C55—C56107.8 (9)
C1—C2—H2124.72C54—C55—H55126.08
C3—C2—H2124.72C56—C55—H55126.08
C2—C3—C4103.7 (11)C55—C56—N8109.8 (10)
C2—C3—H3128.13C55—C56—H56125.08
C4—C3—H3128.13N8—C56—H56125.08
C3—C4—C5122.7 (11)O3—C69—Ru2175.1 (13)
C3—C4—N1110.5 (9)O4—C70—Ru2168.0 (14)
C5—C4—N1126.7 (11)C1—N1—C4108.3 (10)
C4—C5—C6124.4 (10)C1—N1—Ru1124.7 (9)
C4—C5—C68d118.4 (10)C4—N1—Ru1125.0 (7)
C6—C5—C68d117.2 (8)C6—N2—C9107.8 (8)
C5—C6—C7126.0 (10)C6—N2—Ru1127.6 (7)
C5—C6—N2124.4 (8)C9—N2—Ru1124.5 (8)
C7—C6—N2109.5 (10)C13—N3—C16108.4 (10)
C6—C7—C8108.6 (10)C13—N3—Ru1128.6 (8)
C6—C7—H7125.71C16—N3—Ru1122.2 (7)
C8—C7—H7125.71C18—N4—C21108.2 (9)
C7—C8—C9106.3 (10)C18—N4—Ru1119.2 (8)
C7—C8—H8126.85C21—N4—Ru1127.3 (8)
C9—C8—H8126.85C36—N5—C39110.0 (11)
C8—C9—C10122.9 (9)C36—N5—Ru2126.3 (8)
C8—C9—N2107.7 (11)C39—N5—Ru2122.4 (9)
C10—C9—N2129.2 (9)C41—N6—C44108.8 (10)
C9—C10—C11108.6 (8)C41—N6—Ru2124.5 (8)
C9—C10—C12108.2 (8)C44—N6—Ru2126.6 (9)
C9—C10—C13110.0 (8)C48—N7—C51106.3 (11)
C11—C10—C12109.0 (7)C48—N7—Ru2127.8 (9)
C11—C10—C13109.4 (8)C51—N7—Ru2125.6 (8)
C12—C10—C13111.5 (8)C53—N8—C56107.4 (8)
C10—C11—H11A109.47C53—N8—Ru2120.7 (6)
C10—C11—H11B109.47C56—N8—Ru2127.1 (8)
C10—C11—H11C109.47C34—Ru1—C3585.6 (4)
H11A—C11—H11B109.47C34—Ru1—N191.7 (5)
H11A—C11—H11C109.47C34—Ru1—N290.5 (4)
H11B—C11—H11C109.47C34—Ru1—N399.8 (5)
C10—C12—H12A109.47C34—Ru1—N4173.0 (4)
C10—C12—H12B109.47C35—Ru1—N195.5 (5)
C10—C12—H12C109.47C35—Ru1—N2174.3 (5)
H12A—C12—H12B109.47C35—Ru1—N393.4 (5)
H12A—C12—H12C109.47C35—Ru1—N487.5 (4)
H12B—C12—H12C109.47N1—Ru1—N288.7 (4)
C10—C13—C14125.1 (9)N1—Ru1—N3165.9 (4)
C10—C13—N3125.8 (11)N1—Ru1—N487.7 (4)
C14—C13—N3108.5 (9)N2—Ru1—N383.2 (4)
C13—C14—C15109.1 (10)N2—Ru1—N496.4 (3)
C13—C14—H14125.46N3—Ru1—N481.8 (4)
C15—C14—H14125.46C69—Ru2—C7085.8 (5)
C14—C15—C16104.4 (10)C69—Ru2—N593.8 (5)
C14—C15—H15127.79C69—Ru2—N6171.9 (4)
C16—C15—H15127.79C69—Ru2—N794.1 (5)
C15—C16—C17125.0 (9)C69—Ru2—N886.8 (4)
C15—C16—N3109.5 (9)C70—Ru2—N587.1 (6)
C17—C16—N3119.2 (11)C70—Ru2—N687.0 (5)
C16—C17—C18123.8 (10)C70—Ru2—N7104.4 (5)
C16—C17—C68c116.2 (11)C70—Ru2—N8171.1 (5)
C18—C17—C68c119.9 (9)N5—Ru2—N689.7 (5)
C17—C18—C19122.6 (10)N5—Ru2—N7166.5 (4)
C17—C18—N4126.2 (9)N5—Ru2—N888.5 (4)
C19—C18—N4110.9 (11)N6—Ru2—N784.0 (4)
C18—C19—C20102.8 (9)N6—Ru2—N8100.7 (4)
C18—C19—H19128.6N7—Ru2—N881.0 (4)
C20—C19—H19128.6C64a—C63a—C68a119.7 (7)
C19—C20—C21110.8 (10)C64a—C63a—F16a119.4 (7)
C19—C20—H20124.61C68a—C63a—F16a120.9 (7)
C21—C20—H20124.61C63a—C64a—C65a120.6 (8)
C20—C21—N4107.3 (11)C63a—C64a—F17a119.7 (8)
C20—C21—H21126.34C65a—C64a—F17a119.7 (8)
N4—C21—H21126.34C64a—C65a—C66a120.0 (8)
O1—C34—Ru1175.3 (13)C64a—C65a—F18a120.6 (10)
O2—C35—Ru1177.7 (12)C66a—C65a—F18a119.4 (10)
C37—C36—N5104.7 (10)C65a—C66a—C67a119.1 (9)
C37—C36—H36127.67C65a—C66a—F19a120.8 (10)
N5—C36—H36127.67C67a—C66a—F19a120.1 (10)
C36—C37—C38113.0 (12)C66a—C67a—C68a121.2 (9)
C36—C37—H37123.5C66a—C67a—F20a118.2 (9)
C38—C37—H37123.5C68a—C67a—F20a120.6 (9)
C37—C38—C39105.4 (11)C52—C68a—C63a121.9 (8)
C37—C38—H38127.32C52—C68a—C67a118.6 (8)
C39—C38—H38127.32C63a—C68a—C67a119.4 (8)
C38—C39—C40123.7 (11)C64b—C63b—C68b119.7 (7)
C38—C39—N5106.7 (9)C64b—C63b—F16b119.4 (9)
C40—C39—N5129.4 (12)C68b—C63b—F16b120.9 (8)
C39—C40—C41120.9 (11)C63b—C64b—C65b120.6 (8)
C39—C40—C68b119.0 (11)C63b—C64b—F17b119.7 (9)
C41—C40—C68b119.9 (10)C65b—C64b—F17b119.7 (10)
C40—C41—C42121.9 (11)C64b—C65b—C66b120.0 (9)
C40—C41—N6129.4 (10)C64b—C65b—F18b120.6 (10)
C42—C41—N6108.2 (11)C66b—C65b—F18b119.4 (10)
C41—C42—C43105.4 (10)C65b—C66b—C67b119.1 (9)
C41—C42—H42127.32C65b—C66b—F19b120.8 (11)
C43—C42—H42127.32C67b—C66b—F19b120.1 (11)
C42—C43—C44109.1 (11)C66b—C67b—C68b121.2 (9)
C42—C43—H43125.46C66b—C67b—F20b118.2 (10)
C44—C43—H43125.46C68b—C67b—F20b120.6 (10)
C43—C44—C45129.0 (11)C40—C68b—C63b121.0 (8)
C43—C44—N6108.5 (11)C40—C68b—C67b119.3 (9)
C45—C44—N6122.1 (10)C63b—C68b—C67b119.4 (8)
C44—C45—C46107.4 (10)C64c—C63c—C68c119.7 (7)
C44—C45—C47114.9 (11)C64c—C63c—F16c119.4 (8)
C44—C45—C48116.6 (9)C68c—C63c—F16c120.9 (9)
C46—C45—C47102.4 (9)C63c—C64c—C65c120.6 (8)
C46—C45—C48102.5 (11)C63c—C64c—F17c119.7 (9)
C47—C45—C48111.1 (9)C65c—C64c—F17c119.7 (10)
C45—C46—H46A109.47C64c—C65c—C66c120.0 (9)
C45—C46—H46B109.47C64c—C65c—F18c120.6 (10)
C45—C46—H46C109.47C66c—C65c—F18c119.4 (10)
H46A—C46—H46B109.47C65c—C66c—C67c119.1 (9)
H46A—C46—H46C109.47C65c—C66c—F19c120.8 (11)
H46B—C46—H46C109.47C67c—C66c—F19c120.1 (11)
C45—C47—H47A109.47C66c—C67c—C68c121.2 (9)
C45—C47—H47B109.47C66c—C67c—F20c118.2 (10)
C45—C47—H47C109.47C68c—C67c—F20c120.6 (11)
H47A—C47—H47B109.47C17—C68c—C63c121.4 (8)
H47A—C47—H47C109.47C17—C68c—C67c119.0 (9)
H47B—C47—H47C109.47C63c—C68c—C67c119.4 (9)
C45—C48—C49131.4 (10)C64d—C63d—C68d119.7 (6)
C45—C48—N7118.0 (11)C64d—C63d—F16d119.4 (8)
C49—C48—N7109.9 (10)C68d—C63d—F16d120.9 (8)
C48—C49—C50107.6 (12)C63d—C64d—C65d120.6 (8)
C48—C49—H49126.21C63d—C64d—F17d119.7 (8)
C50—C49—H49126.21C65d—C64d—F17d119.7 (8)
C49—C50—C51106.6 (12)C64d—C65d—C66d120.0 (8)
C49—C50—H50126.68C64d—C65d—F18d120.6 (10)
C51—C50—H50126.68C66d—C65d—F18d119.4 (10)
C50—C51—C52124.5 (11)C65d—C66d—C67d119.1 (9)
C50—C51—N7109.2 (9)C65d—C66d—F19d120.8 (10)
C52—C51—N7122.9 (11)C67d—C66d—F19d120.1 (10)
C51—C52—C53121.7 (10)C66d—C67d—C68d121.2 (9)
C51—C52—C68a119.8 (10)C66d—C67d—F20d118.2 (9)
C53—C52—C68a118.1 (8)C68d—C67d—F20d120.6 (9)
C52—C53—C54126.1 (10)C5—C68d—C63d120.9 (7)
C52—C53—N8126.2 (8)C5—C68d—C67d119.7 (8)
C54—C53—N8107.5 (9)C63d—C68d—C67d119.4 (7)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C7—H7···F20bi1.062.273.050 (16)128.84
C12—H12B···C341.062.453.384 (15)146.35
C12—H12B···O11.062.413.458 (15)171.94
C38—H38···F18cii1.062.463.251 (18)130.50
C42—H42···F20d1.062.463.249 (17)130.16
C47—H47C···C701.062.343.264 (18)145.26
Symmetry codes: (i) x1, y, z; (ii) x, y1, z.
Dicarbonyl[10,10-dimethyl-5,15-bis(pentafluorophenyl)biladiene]ruthenium(II) (joer349) top
Crystal data top
[Ru(C33H16F10N4)(CO)2]Z = 4
Mr = 815.59F(000) = 1616
Triclinic, P1Dx = 1.796 Mg m3
a = 9.4599 (6) ÅCu Kα X-ray radiation, λ = 1.54178 Å
b = 15.2428 (11) ÅCell parameters from 9795 reflections
c = 21.0881 (14) Åθ = 2.9–66.8°
α = 92.726 (5)°µ = 5.16 mm1
β = 90.652 (5)°T = 100 K
γ = 96.560 (4)°Needle, red
V = 3017.0 (4) Å30.10 × 0.04 × 0.04 mm
Data collection top
Bruker Venture PHOTON III
diffractometer
2333 reflections with I > 2σ(I)
φ and ω scansRint = 0.099
Absorption correction: multi-scan
(SADABS; Bruker, 2016)
θmax = 35.0°, θmin = 2.1°
Tmin = 0.530, Tmax = 0.749h = 77
19369 measured reflectionsk = 1110
2568 independent reflectionsl = 1515
Refinement top
Refinement on F2Primary atom site location: dual
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.146H-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 reflectionsΔρmax = 1.63 e Å3
431 parametersΔρmin = 1.24 e Å3
132 restraints
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ru1_10.2803 (4)0.8252 (3)0.41791 (19)0.0241 (17)
F1_10.144 (3)0.4733 (16)0.4973 (12)0.026 (5)*
F2_10.079 (3)0.3023 (17)0.4730 (12)0.031 (5)*
F3_10.033 (3)0.2372 (18)0.3504 (12)0.032 (5)*
F4_10.053 (3)0.3524 (17)0.2558 (13)0.031 (5)*
F5_10.111 (3)0.5236 (17)0.2806 (12)0.030 (5)*
F6_10.328 (3)0.9828 (17)0.1678 (12)0.031 (5)*
F7_10.477 (3)1.1098 (17)0.1026 (12)0.032 (5)*
F8_10.672 (3)1.2289 (18)0.1613 (12)0.034 (5)*
F9_10.711 (3)1.2232 (18)0.2900 (12)0.033 (5)*
F10_10.574 (3)1.0958 (16)0.3544 (12)0.029 (5)*
O1_10.198 (3)0.856 (2)0.5510 (16)0.027 (4)*
O2_10.551 (4)0.950 (2)0.4501 (14)0.027 (4)*
N1_10.368 (4)0.716 (3)0.4438 (17)0.026 (4)*
N2_10.089 (4)0.748 (3)0.4011 (17)0.024 (3)*
N3_10.184 (4)0.920 (3)0.3705 (18)0.025 (3)*
N4_10.365 (4)0.806 (3)0.3258 (18)0.026 (4)*
C1_10.508 (5)0.711 (3)0.464 (2)0.026 (4)*
H1_10.5736500.7604950.4773010.031*
C2_10.541 (6)0.622 (3)0.463 (2)0.026 (4)*
H2_10.6261400.6014100.4776640.031*
C3_10.426 (5)0.573 (3)0.437 (2)0.026 (4)*
H3_10.4180560.5109740.4262080.031*
C4_10.318 (6)0.630 (3)0.428 (2)0.025 (4)*
C5_10.178 (6)0.604 (3)0.404 (2)0.025 (3)*
C6_10.068 (6)0.655 (3)0.395 (2)0.024 (3)*
C7_10.078 (5)0.633 (3)0.381 (2)0.024 (4)*
H7_10.1234030.5742250.3751050.029*
C8_10.142 (6)0.702 (3)0.378 (2)0.024 (4)*
H8_10.2409760.7019670.3687080.028*
C9_10.049 (5)0.778 (3)0.390 (2)0.024 (3)*
C10_10.072 (5)0.875 (3)0.399 (2)0.024 (3)*
C11_10.041 (5)0.938 (3)0.376 (2)0.024 (3)*
C12_10.039 (5)1.021 (3)0.348 (2)0.025 (4)*
H12_10.0399851.0545700.3488850.030*
C13_10.169 (5)1.046 (3)0.321 (2)0.025 (4)*
H13_10.1923911.0959430.2964120.030*
C14_10.262 (5)0.982 (3)0.338 (2)0.025 (3)*
C15_10.377 (5)0.961 (3)0.301 (2)0.026 (3)*
C16_10.423 (5)0.876 (3)0.293 (2)0.026 (4)*
C17_10.519 (5)0.847 (3)0.246 (2)0.026 (4)*
H17_10.5677070.8815970.2156510.031*
C18_10.525 (5)0.758 (3)0.254 (2)0.026 (4)*
H18_10.5816840.7198620.2312720.031*
C19_10.430 (5)0.736 (3)0.304 (2)0.026 (4)*
H19_10.4128770.6787610.3200180.031*
C20_10.125 (5)0.445 (3)0.437 (2)0.027 (3)*
C21_10.081 (5)0.351 (3)0.422 (3)0.028 (4)*
C22_10.060 (5)0.327 (4)0.360 (3)0.028 (4)*
C23_10.075 (5)0.383 (4)0.316 (3)0.028 (4)*
C24_10.106 (5)0.476 (3)0.332 (3)0.027 (3)*
C25_10.125 (5)0.508 (3)0.392 (2)0.026 (3)*
C26_10.420 (5)1.036 (3)0.203 (3)0.029 (3)*
C27_10.500 (5)1.104 (3)0.166 (3)0.030 (4)*
C28_10.603 (6)1.168 (4)0.193 (3)0.030 (4)*
C29_10.624 (6)1.171 (3)0.254 (3)0.030 (4)*
C30_10.550 (5)1.099 (3)0.291 (2)0.029 (3)*
C31_10.441 (5)1.029 (3)0.265 (3)0.028 (3)*
C32_10.206 (5)0.887 (3)0.357 (2)0.024 (5)*
H32A_10.1835400.8781390.3123400.036*
H32B_10.2330320.9465860.3651520.036*
H32C_10.2850020.8432340.3682080.036*
C33_10.110 (5)0.899 (3)0.470 (2)0.023 (5)*
H33A_10.2036850.8690670.4795640.035*
H33B_10.1118890.9635260.4756740.035*
H33C_10.0382140.8808870.4987760.035*
C34_10.233 (5)0.843 (3)0.496 (3)0.024 (2)*
C35_10.453 (6)0.900 (3)0.438 (2)0.024 (2)*
Ru1_20.7253 (5)0.6604 (3)0.0770 (2)0.0283 (17)
F1_21.066 (3)0.9373 (17)0.0377 (12)0.035 (5)*
F2_21.197 (3)1.1039 (17)0.0460 (12)0.038 (5)*
F3_21.129 (3)1.2230 (18)0.1408 (12)0.035 (5)*
F4_20.941 (3)1.1676 (18)0.2296 (13)0.038 (5)*
F5_20.805 (3)1.0000 (17)0.2214 (12)0.034 (5)*
F6_20.714 (3)0.5136 (18)0.2984 (12)0.038 (5)*
F7_20.626 (3)0.4109 (17)0.3938 (14)0.039 (5)*
F8_20.413 (3)0.2778 (18)0.3705 (13)0.039 (5)*
F9_20.306 (3)0.2431 (18)0.2545 (12)0.039 (5)*
F10_20.402 (3)0.3399 (17)0.1575 (13)0.036 (5)*
O1_20.976 (4)0.731 (2)0.0029 (15)0.030 (4)*
O2_20.615 (3)0.562 (2)0.0409 (15)0.030 (4)*
N1_20.842 (4)0.720 (3)0.1567 (18)0.030 (4)*
N2_20.649 (5)0.782 (3)0.0781 (18)0.031 (4)*
N3_20.530 (4)0.621 (3)0.1193 (19)0.032 (4)*
N4_20.795 (4)0.539 (3)0.1005 (19)0.033 (4)*
C1_20.905 (5)0.683 (3)0.205 (2)0.030 (4)*
H1_20.8768190.6245590.2175190.036*
C2_21.019 (5)0.740 (3)0.233 (2)0.030 (4)*
H2_21.0868980.7260420.2636550.036*
C3_21.011 (5)0.821 (3)0.207 (2)0.030 (4)*
H3_21.0695420.8740910.2186540.036*
C4_20.903 (6)0.811 (4)0.161 (2)0.030 (4)*
C5_20.857 (6)0.869 (4)0.126 (2)0.031 (3)*
C6_20.729 (6)0.859 (4)0.086 (2)0.031 (3)*
C7_20.645 (5)0.934 (4)0.074 (2)0.031 (4)*
H7_20.6745120.9957010.0739610.037*
C8_20.504 (6)0.886 (3)0.061 (2)0.030 (4)*
H8_20.4199890.9112960.0511170.037*
C9_20.513 (6)0.802 (4)0.067 (2)0.031 (3)*
C10_20.391 (5)0.725 (3)0.067 (2)0.031 (3)*
C11_20.403 (6)0.658 (3)0.112 (2)0.032 (3)*
C12_20.307 (6)0.607 (3)0.153 (2)0.032 (4)*
H12_20.2104070.6179060.1581760.038*
C13_20.363 (5)0.544 (3)0.184 (2)0.032 (4)*
H13_20.3189580.5040020.2133470.039*
C14_20.513 (6)0.555 (4)0.161 (2)0.033 (3)*
C15_20.602 (6)0.496 (3)0.176 (2)0.034 (3)*
C16_20.741 (6)0.489 (3)0.149 (2)0.033 (4)*
C17_20.832 (5)0.423 (3)0.159 (2)0.033 (4)*
H17_20.8154330.3745850.1858910.040*
C18_20.950 (6)0.442 (3)0.121 (2)0.033 (4)*
H18_21.0300910.4100540.1193460.040*
C19_20.934 (6)0.515 (3)0.086 (2)0.033 (4)*
H19_21.0009690.5441920.0588410.040*
C20_21.038 (5)0.995 (4)0.084 (2)0.034 (4)*
C21_21.096 (6)1.084 (4)0.091 (3)0.034 (4)*
C22_21.071 (6)1.131 (4)0.141 (3)0.034 (4)*
C23_20.969 (6)1.110 (4)0.181 (3)0.034 (4)*
C24_20.903 (6)1.028 (4)0.176 (2)0.034 (4)*
C25_20.927 (5)0.958 (4)0.130 (2)0.033 (3)*
C26_20.601 (6)0.439 (4)0.282 (3)0.036 (4)*
C27_20.578 (6)0.403 (4)0.335 (3)0.037 (4)*
C28_20.466 (6)0.331 (4)0.324 (3)0.037 (4)*
C29_20.418 (6)0.316 (4)0.268 (3)0.037 (4)*
C30_20.441 (6)0.353 (4)0.216 (3)0.036 (4)*
C31_20.555 (6)0.429 (3)0.225 (3)0.035 (3)*
C32_20.258 (5)0.773 (3)0.090 (2)0.030 (5)*
H32A_20.2726500.7931060.1350170.046*
H32B_20.1715430.7310160.0858930.046*
H32C_20.2484500.8237020.0645450.046*
C33_20.346 (5)0.686 (3)0.000 (2)0.031 (5)*
H33A_20.3296320.7340990.0277580.046*
H33B_20.2586120.6455460.0023710.046*
H33C_20.4219690.6540040.0178410.046*
C34_20.890 (6)0.703 (3)0.032 (2)0.028 (2)*
C35_20.659 (5)0.612 (3)0.007 (2)0.028 (2)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru1_10.021 (2)0.023 (2)0.029 (2)0.0036 (13)0.0023 (13)0.0007 (13)
Ru1_20.024 (2)0.030 (2)0.031 (2)0.0050 (14)0.0018 (13)0.0015 (13)
Geometric parameters (Å, º) top
Ru1_1—N1_12.04 (4)Ru1_2—N1_22.11 (4)
Ru1_1—N2_12.06 (4)Ru1_2—N2_22.07 (4)
Ru1_1—N3_12.08 (4)Ru1_2—N3_22.10 (4)
Ru1_1—N4_12.13 (4)Ru1_2—N4_22.11 (4)
Ru1_1—C34_11.73 (5)Ru1_2—C34_21.90 (6)
Ru1_1—C35_11.92 (6)Ru1_2—C35_21.71 (5)
F1_1—C20_11.33 (5)F1_2—C20_21.34 (5)
F2_1—C21_11.33 (5)F2_2—C21_21.37 (5)
F3_1—C22_11.36 (5)F3_2—C22_21.46 (5)
F4_1—C23_11.33 (5)F4_2—C23_21.37 (5)
F5_1—C24_11.32 (5)F5_2—C24_21.39 (5)
F6_1—C26_11.31 (5)F6_2—C26_21.49 (6)
F7_1—C27_11.35 (5)F7_2—C27_21.32 (5)
F8_1—C28_11.29 (5)F8_2—C28_21.36 (5)
F9_1—C29_11.29 (5)F9_2—C29_21.46 (6)
F10_1—C30_11.36 (5)F10_2—C30_21.29 (5)
O1_1—C34_11.22 (5)O1_2—C34_21.16 (5)
O2_1—C35_11.15 (5)O2_2—C35_21.27 (5)
N1_1—C1_11.40 (5)N1_2—C1_21.35 (5)
N1_1—C4_11.37 (5)N1_2—C4_21.43 (6)
N2_1—C6_11.41 (5)N2_2—C6_21.32 (5)
N2_1—C9_11.45 (5)N2_2—C9_21.37 (5)
N3_1—C11_11.41 (5)N3_2—C11_21.40 (5)
N3_1—C14_11.35 (5)N3_2—C14_21.37 (6)
N4_1—C16_11.36 (5)N4_2—C16_21.37 (6)
N4_1—C19_11.35 (5)N4_2—C19_21.43 (6)
C1_1—H1_10.9500C1_2—H1_20.9500
C1_1—C2_11.42 (6)C1_2—C2_21.42 (6)
C2_1—H2_10.9500C2_2—H2_20.9500
C2_1—C3_11.34 (6)C2_2—C3_21.38 (6)
C3_1—H3_10.9500C3_2—H3_20.9500
C3_1—C4_11.44 (6)C3_2—C4_21.40 (6)
C4_1—C5_11.41 (6)C4_2—C5_21.29 (6)
C5_1—C6_11.39 (6)C5_2—C6_21.46 (6)
C5_1—C25_11.49 (6)C5_2—C25_21.43 (6)
C6_1—C7_11.41 (6)C6_2—C7_21.50 (6)
C7_1—H7_10.9500C7_2—H7_20.9500
C7_1—C8_11.28 (6)C7_2—C8_21.46 (6)
C8_1—H8_10.9500C8_2—H8_20.9500
C8_1—C9_11.38 (6)C8_2—C9_21.30 (6)
C9_1—C10_11.53 (6)C9_2—C10_21.54 (7)
C10_1—C11_11.46 (6)C10_2—C11_21.44 (6)
C10_1—C32_11.57 (6)C10_2—C32_21.59 (6)
C10_1—C33_11.58 (6)C10_2—C33_21.55 (6)
C11_1—C12_11.41 (6)C11_2—C12_21.46 (6)
C12_1—H12_10.9500C12_2—H12_20.9500
C12_1—C13_11.39 (6)C12_2—C13_21.34 (6)
C13_1—H13_10.9500C13_2—H13_20.9500
C13_1—C14_11.44 (6)C13_2—C14_21.50 (6)
C14_1—C15_11.40 (6)C14_2—C15_21.34 (6)
C15_1—C16_11.41 (6)C15_2—C16_21.45 (6)
C15_1—C31_11.40 (6)C15_2—C31_21.52 (7)
C16_1—C17_11.44 (6)C16_2—C17_21.42 (6)
C17_1—H17_10.9500C17_2—H17_20.9500
C17_1—C18_11.38 (6)C17_2—C18_21.39 (6)
C18_1—H18_10.9500C18_2—H18_20.9500
C18_1—C19_11.42 (6)C18_2—C19_21.38 (6)
C19_1—H19_10.9500C19_2—H19_20.9500
C20_1—C21_11.47 (6)C20_2—C21_21.40 (6)
C20_1—C25_11.38 (6)C20_2—C25_21.52 (7)
C21_1—C22_11.35 (6)C21_2—C22_21.29 (6)
C22_1—C23_11.30 (6)C22_2—C23_21.30 (6)
C23_1—C24_11.44 (6)C23_2—C24_21.33 (6)
C24_1—C25_11.35 (6)C24_2—C25_21.45 (6)
C26_1—C27_11.48 (6)C26_2—C27_21.28 (6)
C26_1—C31_11.33 (6)C26_2—C31_21.27 (6)
C27_1—C28_11.39 (6)C27_2—C28_21.44 (7)
C28_1—C29_11.30 (6)C28_2—C29_21.25 (6)
C29_1—C30_11.49 (6)C29_2—C30_21.26 (6)
C30_1—C31_11.48 (6)C30_2—C31_21.49 (7)
C32_1—H32A_10.9800C32_2—H32A_20.9800
C32_1—H32B_10.9800C32_2—H32B_20.9800
C32_1—H32C_10.9800C32_2—H32C_20.9800
C33_1—H33A_10.9800C33_2—H33A_20.9800
C33_1—H33B_10.9800C33_2—H33B_20.9800
C33_1—H33C_10.9800C33_2—H33C_20.9800
N1_1—Ru1_1—N2_189.4 (16)N1_2—Ru1_2—N4_288.2 (15)
N1_1—Ru1_1—N3_1166.2 (15)N2_2—Ru1_2—N1_281.6 (16)
N1_1—Ru1_1—N4_188.1 (15)N2_2—Ru1_2—N3_283.1 (16)
N2_1—Ru1_1—N3_184.4 (15)N2_2—Ru1_2—N4_2165.7 (15)
N2_1—Ru1_1—N4_196.9 (15)N3_2—Ru1_2—N1_2100.2 (15)
N3_1—Ru1_1—N4_180.5 (15)N3_2—Ru1_2—N4_288.8 (16)
C34_1—Ru1_1—N1_188.8 (18)C34_2—Ru1_2—N1_284.0 (18)
C34_1—Ru1_1—N2_189.3 (19)C34_2—Ru1_2—N2_292.2 (19)
C34_1—Ru1_1—N3_1103.3 (19)C34_2—Ru1_2—N3_2173.1 (19)
C34_1—Ru1_1—N4_1173.0 (19)C34_2—Ru1_2—N4_296.8 (19)
C34_1—Ru1_1—C35_187 (2)C35_2—Ru1_2—N1_2170.2 (19)
C35_1—Ru1_1—N1_191.8 (18)C35_2—Ru1_2—N2_2102 (2)
C35_1—Ru1_1—N2_1176.3 (18)C35_2—Ru1_2—N3_289.3 (19)
C35_1—Ru1_1—N3_195.3 (18)C35_2—Ru1_2—N4_289.6 (19)
C35_1—Ru1_1—N4_186.6 (17)C35_2—Ru1_2—C34_287 (2)
C1_1—N1_1—Ru1_1128 (3)C1_2—N1_2—Ru1_2130 (3)
C4_1—N1_1—Ru1_1126 (3)C1_2—N1_2—C4_2104 (4)
C4_1—N1_1—C1_1103 (4)C4_2—N1_2—Ru1_2124 (3)
C6_1—N2_1—Ru1_1126 (3)C6_2—N2_2—Ru1_2124 (4)
C6_1—N2_1—C9_1107 (4)C6_2—N2_2—C9_2106 (4)
C9_1—N2_1—Ru1_1127 (3)C9_2—N2_2—Ru1_2129 (4)
C11_1—N3_1—Ru1_1127 (3)C11_2—N3_2—Ru1_2127 (3)
C14_1—N3_1—Ru1_1121 (3)C14_2—N3_2—Ru1_2123 (3)
C14_1—N3_1—C11_1111 (4)C14_2—N3_2—C11_2110 (4)
C16_1—N4_1—Ru1_1121 (3)C16_2—N4_2—Ru1_2124 (3)
C19_1—N4_1—Ru1_1127 (3)C16_2—N4_2—C19_2108 (4)
C19_1—N4_1—C16_1106 (4)C19_2—N4_2—Ru1_2123 (3)
N1_1—C1_1—H1_1124.1N1_2—C1_2—H1_2123.9
N1_1—C1_1—C2_1112 (4)N1_2—C1_2—C2_2112 (5)
C2_1—C1_1—H1_1124.1C2_2—C1_2—H1_2123.9
C1_1—C2_1—H2_1127.1C1_2—C2_2—H2_2127.4
C3_1—C2_1—C1_1106 (5)C3_2—C2_2—C1_2105 (5)
C3_1—C2_1—H2_1127.1C3_2—C2_2—H2_2127.4
C2_1—C3_1—H3_1126.1C2_2—C3_2—H3_2125.7
C2_1—C3_1—C4_1108 (5)C2_2—C3_2—C4_2109 (5)
C4_1—C3_1—H3_1126.1C4_2—C3_2—H3_2125.7
N1_1—C4_1—C3_1111 (5)C3_2—C4_2—N1_2109 (5)
N1_1—C4_1—C5_1123 (5)C5_2—C4_2—N1_2122 (5)
C5_1—C4_1—C3_1126 (5)C5_2—C4_2—C3_2129 (5)
C4_1—C5_1—C25_1121 (5)C4_2—C5_2—C6_2127 (5)
C6_1—C5_1—C4_1129 (5)C4_2—C5_2—C25_2119 (5)
C6_1—C5_1—C25_1110 (5)C25_2—C5_2—C6_2113 (5)
C5_1—C6_1—N2_1122 (5)N2_2—C6_2—C5_2122 (5)
C5_1—C6_1—C7_1133 (5)N2_2—C6_2—C7_2111 (5)
C7_1—C6_1—N2_1105 (4)C5_2—C6_2—C7_2123 (5)
C6_1—C7_1—H7_1124.2C6_2—C7_2—H7_2129.8
C8_1—C7_1—C6_1112 (5)C8_2—C7_2—C6_2100 (5)
C8_1—C7_1—H7_1124.2C8_2—C7_2—H7_2129.8
C7_1—C8_1—H8_1124.6C7_2—C8_2—H8_2125.8
C7_1—C8_1—C9_1111 (5)C9_2—C8_2—C7_2108 (5)
C9_1—C8_1—H8_1124.6C9_2—C8_2—H8_2125.8
N2_1—C9_1—C10_1122 (4)N2_2—C9_2—C10_2117 (5)
C8_1—C9_1—N2_1106 (4)C8_2—C9_2—N2_2114 (5)
C8_1—C9_1—C10_1132 (5)C8_2—C9_2—C10_2128 (5)
C9_1—C10_1—C32_1105 (4)C9_2—C10_2—C32_2103 (4)
C9_1—C10_1—C33_1112 (4)C9_2—C10_2—C33_2113 (4)
C11_1—C10_1—C9_1115 (4)C11_2—C10_2—C9_2117 (4)
C11_1—C10_1—C32_1105 (4)C11_2—C10_2—C32_2104 (4)
C11_1—C10_1—C33_1112 (4)C11_2—C10_2—C33_2113 (4)
C32_1—C10_1—C33_1107 (4)C33_2—C10_2—C32_2104 (4)
N3_1—C11_1—C10_1123 (4)N3_2—C11_2—C10_2121 (5)
N3_1—C11_1—C12_1105 (4)N3_2—C11_2—C12_2103 (4)
C12_1—C11_1—C10_1132 (5)C10_2—C11_2—C12_2136 (5)
C11_1—C12_1—H12_1125.2C11_2—C12_2—H12_2122.1
C13_1—C12_1—C11_1110 (5)C13_2—C12_2—C11_2116 (5)
C13_1—C12_1—H12_1125.2C13_2—C12_2—H12_2122.1
C12_1—C13_1—H13_1126.6C12_2—C13_2—H13_2129.5
C12_1—C13_1—C14_1107 (5)C12_2—C13_2—C14_2101 (5)
C14_1—C13_1—H13_1126.6C14_2—C13_2—H13_2129.5
N3_1—C14_1—C13_1107 (5)N3_2—C14_2—C13_2110 (5)
N3_1—C14_1—C15_1121 (5)C15_2—C14_2—N3_2129 (5)
C15_1—C14_1—C13_1124 (5)C15_2—C14_2—C13_2120 (5)
C14_1—C15_1—C16_1126 (5)C14_2—C15_2—C16_2126 (5)
C14_1—C15_1—C31_1116 (5)C14_2—C15_2—C31_2118 (5)
C31_1—C15_1—C16_1119 (5)C16_2—C15_2—C31_2116 (5)
N4_1—C16_1—C15_1123 (5)N4_2—C16_2—C15_2123 (5)
N4_1—C16_1—C17_1109 (5)N4_2—C16_2—C17_2108 (5)
C15_1—C16_1—C17_1127 (5)C17_2—C16_2—C15_2128 (5)
C16_1—C17_1—H17_1126.4C16_2—C17_2—H17_2126.9
C18_1—C17_1—C16_1107 (5)C18_2—C17_2—C16_2106 (5)
C18_1—C17_1—H17_1126.4C18_2—C17_2—H17_2126.9
C17_1—C18_1—H18_1127.6C17_2—C18_2—H18_2124.8
C17_1—C18_1—C19_1105 (5)C19_2—C18_2—C17_2110 (5)
C19_1—C18_1—H18_1127.6C19_2—C18_2—H18_2124.8
N4_1—C19_1—C18_1113 (5)N4_2—C19_2—H19_2127.1
N4_1—C19_1—H19_1123.7C18_2—C19_2—N4_2106 (5)
C18_1—C19_1—H19_1123.7C18_2—C19_2—H19_2127.1
F1_1—C20_1—C21_1118 (4)F1_2—C20_2—C21_2126 (5)
F1_1—C20_1—C25_1118 (5)F1_2—C20_2—C25_2113 (4)
C25_1—C20_1—C21_1123 (5)C21_2—C20_2—C25_2121 (5)
F2_1—C21_1—C20_1113 (4)F2_2—C21_2—C20_2111 (5)
F2_1—C21_1—C22_1131 (5)C22_2—C21_2—F2_2128 (5)
C22_1—C21_1—C20_1116 (5)C22_2—C21_2—C20_2120 (5)
C21_1—C22_1—F3_1112 (5)C21_2—C22_2—F3_2114 (5)
C23_1—C22_1—F3_1125 (5)C21_2—C22_2—C23_2125 (6)
C23_1—C22_1—C21_1123 (6)C23_2—C22_2—F3_2118 (5)
F4_1—C23_1—C24_1122 (5)C22_2—C23_2—F4_2121 (6)
C22_1—C23_1—F4_1118 (5)C22_2—C23_2—C24_2118 (6)
C22_1—C23_1—C24_1120 (5)C24_2—C23_2—F4_2121 (5)
F5_1—C24_1—C23_1112 (5)F5_2—C24_2—C25_2113 (5)
F5_1—C24_1—C25_1126 (5)C23_2—C24_2—F5_2119 (5)
C25_1—C24_1—C23_1122 (5)C23_2—C24_2—C25_2128 (5)
C20_1—C25_1—C5_1124 (5)C5_2—C25_2—C20_2125 (5)
C24_1—C25_1—C5_1119 (5)C5_2—C25_2—C24_2127 (5)
C24_1—C25_1—C20_1115 (5)C24_2—C25_2—C20_2108 (5)
F6_1—C26_1—C27_1112 (5)C27_2—C26_2—F6_2103 (5)
F6_1—C26_1—C31_1124 (5)C31_2—C26_2—F6_2119 (5)
C31_1—C26_1—C27_1123 (5)C31_2—C26_2—C27_2138 (6)
F7_1—C27_1—C26_1122 (5)F7_2—C27_2—C28_2113 (5)
F7_1—C27_1—C28_1116 (5)C26_2—C27_2—F7_2139 (6)
C28_1—C27_1—C26_1122 (5)C26_2—C27_2—C28_2108 (6)
F8_1—C28_1—C27_1123 (5)F8_2—C28_2—C27_2123 (5)
F8_1—C28_1—C29_1118 (5)C29_2—C28_2—F8_2120 (6)
C29_1—C28_1—C27_1119 (5)C29_2—C28_2—C27_2117 (6)
F9_1—C29_1—C28_1130 (5)C28_2—C29_2—F9_2119 (6)
F9_1—C29_1—C30_1111 (5)C28_2—C29_2—C30_2135 (6)
C28_1—C29_1—C30_1118 (5)C30_2—C29_2—F9_2106 (5)
F10_1—C30_1—C29_1121 (4)F10_2—C30_2—C31_2111 (5)
F10_1—C30_1—C31_1114 (4)C29_2—C30_2—F10_2138 (6)
C31_1—C30_1—C29_1125 (5)C29_2—C30_2—C31_2111 (6)
C15_1—C31_1—C30_1123 (5)C26_2—C31_2—C15_2121 (5)
C26_1—C31_1—C15_1125 (5)C26_2—C31_2—C30_2112 (5)
C26_1—C31_1—C30_1111 (5)C30_2—C31_2—C15_2127 (5)
C10_1—C32_1—H32A_1109.5C10_2—C32_2—H32A_2109.5
C10_1—C32_1—H32B_1109.5C10_2—C32_2—H32B_2109.5
C10_1—C32_1—H32C_1109.5C10_2—C32_2—H32C_2109.5
H32A_1—C32_1—H32B_1109.5H32A_2—C32_2—H32B_2109.5
H32A_1—C32_1—H32C_1109.5H32A_2—C32_2—H32C_2109.5
H32B_1—C32_1—H32C_1109.5H32B_2—C32_2—H32C_2109.5
C10_1—C33_1—H33A_1109.5C10_2—C33_2—H33A_2109.5
C10_1—C33_1—H33B_1109.5C10_2—C33_2—H33B_2109.5
C10_1—C33_1—H33C_1109.5C10_2—C33_2—H33C_2109.5
H33A_1—C33_1—H33B_1109.5H33A_2—C33_2—H33B_2109.5
H33A_1—C33_1—H33C_1109.5H33A_2—C33_2—H33C_2109.5
H33B_1—C33_1—H33C_1109.5H33B_2—C33_2—H33C_2109.5
O1_1—C34_1—Ru1_1180 (4)O1_2—C34_2—Ru1_2170 (4)
O2_1—C35_1—Ru1_1175 (4)O2_2—C35_2—Ru1_2168 (4)
Ru1_1—N1_1—C1_1—C2_1165 (3)Ru1_2—N1_2—C4_2—C5_222 (7)
Ru1_1—N1_1—C4_1—C3_1162 (3)Ru1_2—N2_2—C6_2—C5_233 (6)
Ru1_1—N1_1—C4_1—C5_116 (7)Ru1_2—N2_2—C6_2—C7_2171 (3)
Ru1_1—N2_1—C6_1—C5_14 (6)Ru1_2—N2_2—C9_2—C8_2170 (3)
Ru1_1—N2_1—C6_1—C7_1177 (3)Ru1_2—N2_2—C9_2—C10_215 (6)
Ru1_1—N2_1—C9_1—C8_1177 (3)Ru1_2—N3_2—C11_2—C10_26 (7)
Ru1_1—N2_1—C9_1—C10_110 (6)Ru1_2—N3_2—C11_2—C12_2178 (3)
Ru1_1—N3_1—C11_1—C10_120 (6)Ru1_2—N3_2—C14_2—C13_2178 (3)
Ru1_1—N3_1—C11_1—C12_1165 (3)Ru1_2—N3_2—C14_2—C15_211 (8)
Ru1_1—N3_1—C14_1—C13_1169 (3)Ru1_2—N4_2—C16_2—C15_221 (7)
Ru1_1—N3_1—C14_1—C15_140 (6)Ru1_2—N4_2—C16_2—C17_2168 (3)
Ru1_1—N4_1—C16_1—C15_130 (6)Ru1_2—N4_2—C19_2—C18_2167 (3)
Ru1_1—N4_1—C16_1—C17_1158 (3)F1_2—C20_2—C21_2—F2_25 (7)
Ru1_1—N4_1—C19_1—C18_1155 (3)F1_2—C20_2—C21_2—C22_2173 (5)
F1_1—C20_1—C21_1—F2_16 (6)F1_2—C20_2—C25_2—C5_21 (7)
F1_1—C20_1—C21_1—C22_1178 (4)F1_2—C20_2—C25_2—C24_2178 (4)
F1_1—C20_1—C25_1—C5_115 (7)F2_2—C21_2—C22_2—F3_218 (8)
F1_1—C20_1—C25_1—C24_1180 (4)F2_2—C21_2—C22_2—C23_2177 (5)
F2_1—C21_1—C22_1—F3_10 (8)F3_2—C22_2—C23_2—F4_214 (7)
F2_1—C21_1—C22_1—C23_1176 (5)F3_2—C22_2—C23_2—C24_2171 (4)
F3_1—C22_1—C23_1—F4_15 (8)F4_2—C23_2—C24_2—F5_21 (8)
F3_1—C22_1—C23_1—C24_1179 (4)F4_2—C23_2—C24_2—C25_2176 (5)
F4_1—C23_1—C24_1—F5_11 (6)F5_2—C24_2—C25_2—C5_23 (7)
F4_1—C23_1—C24_1—C25_1179 (4)F5_2—C24_2—C25_2—C20_2179 (4)
F5_1—C24_1—C25_1—C5_19 (8)F6_2—C26_2—C27_2—F7_22 (9)
F5_1—C24_1—C25_1—C20_1175 (4)F6_2—C26_2—C27_2—C28_2178 (4)
F6_1—C26_1—C27_1—F7_10 (7)F6_2—C26_2—C31_2—C15_26 (8)
F6_1—C26_1—C27_1—C28_1179 (4)F6_2—C26_2—C31_2—C30_2179 (4)
F6_1—C26_1—C31_1—C15_16 (8)F7_2—C27_2—C28_2—F8_21 (7)
F6_1—C26_1—C31_1—C30_1179 (4)F7_2—C27_2—C28_2—C29_2178 (5)
F7_1—C27_1—C28_1—F8_10 (7)F8_2—C28_2—C29_2—F9_20 (8)
F7_1—C27_1—C28_1—C29_1176 (4)F8_2—C28_2—C29_2—C30_2178 (6)
F8_1—C28_1—C29_1—F9_13 (8)F9_2—C29_2—C30_2—F10_26 (9)
F8_1—C28_1—C29_1—C30_1178 (4)F9_2—C29_2—C30_2—C31_2180 (4)
F9_1—C29_1—C30_1—F10_11 (6)F10_2—C30_2—C31_2—C15_212 (7)
F9_1—C29_1—C30_1—C31_1178 (4)F10_2—C30_2—C31_2—C26_2176 (4)
F10_1—C30_1—C31_1—C15_15 (7)N1_2—C1_2—C2_2—C3_29 (6)
F10_1—C30_1—C31_1—C26_1180 (4)N1_2—C4_2—C5_2—C6_29 (8)
N1_1—C1_1—C2_1—C3_15 (5)N1_2—C4_2—C5_2—C25_2177 (4)
N1_1—C4_1—C5_1—C6_13 (8)N2_2—Ru1_2—C35_2—O2_2163 (20)
N1_1—C4_1—C5_1—C25_1176 (4)N2_2—C6_2—C7_2—C8_23 (5)
N2_1—C6_1—C7_1—C8_10 (5)N2_2—C9_2—C10_2—C11_236 (6)
N2_1—C9_1—C10_1—C11_143 (6)N2_2—C9_2—C10_2—C32_2150 (4)
N2_1—C9_1—C10_1—C32_1158 (4)N2_2—C9_2—C10_2—C33_298 (5)
N2_1—C9_1—C10_1—C33_187 (5)N3_2—Ru1_2—C35_2—O2_281 (20)
N3_1—C11_1—C12_1—C13_17 (5)N3_2—C11_2—C12_2—C13_20 (6)
N3_1—C14_1—C15_1—C16_11 (8)N3_2—C14_2—C15_2—C16_21 (9)
N3_1—C14_1—C15_1—C31_1175 (4)N3_2—C14_2—C15_2—C31_2180 (5)
N4_1—C16_1—C17_1—C18_15 (5)N4_2—Ru1_2—C35_2—O2_28 (20)
C1_1—N1_1—C4_1—C3_12 (5)N4_2—C16_2—C17_2—C18_28 (6)
C1_1—N1_1—C4_1—C5_1180 (4)C1_2—N1_2—C4_2—C3_26 (5)
C1_1—C2_1—C3_1—C4_16 (5)C1_2—N1_2—C4_2—C5_2173 (5)
C2_1—C3_1—C4_1—N1_15 (6)C1_2—C2_2—C3_2—C4_24 (5)
C2_1—C3_1—C4_1—C5_1177 (5)C2_2—C3_2—C4_2—N1_21 (6)
C3_1—C4_1—C5_1—C6_1179 (5)C2_2—C3_2—C4_2—C5_2178 (5)
C3_1—C4_1—C5_1—C25_16 (7)C3_2—C4_2—C5_2—C6_2169 (5)
C4_1—N1_1—C1_1—C2_12 (5)C3_2—C4_2—C5_2—C25_25 (9)
C4_1—C5_1—C6_1—N2_110 (8)C4_2—N1_2—C1_2—C2_29 (5)
C4_1—C5_1—C6_1—C7_1169 (5)C4_2—C5_2—C6_2—N2_24 (9)
C4_1—C5_1—C25_1—C20_156 (7)C4_2—C5_2—C6_2—C7_2149 (5)
C4_1—C5_1—C25_1—C24_1109 (6)C4_2—C5_2—C25_2—C20_297 (6)
C5_1—C6_1—C7_1—C8_1179 (5)C4_2—C5_2—C25_2—C24_284 (7)
C6_1—N2_1—C9_1—C8_10 (5)C5_2—C6_2—C7_2—C8_2153 (5)
C6_1—N2_1—C9_1—C10_1173 (4)C6_2—N2_2—C9_2—C8_26 (6)
C6_1—C5_1—C25_1—C20_1118 (5)C6_2—N2_2—C9_2—C10_2169 (4)
C6_1—C5_1—C25_1—C24_177 (6)C6_2—C5_2—C25_2—C20_288 (6)
C6_1—C7_1—C8_1—C9_10 (6)C6_2—C5_2—C25_2—C24_291 (6)
C7_1—C8_1—C9_1—N2_10 (5)C6_2—C7_2—C8_2—C9_20 (5)
C7_1—C8_1—C9_1—C10_1171 (5)C7_2—C8_2—C9_2—N2_24 (6)
C8_1—C9_1—C10_1—C11_1147 (5)C7_2—C8_2—C9_2—C10_2171 (5)
C8_1—C9_1—C10_1—C32_132 (7)C8_2—C9_2—C10_2—C11_2139 (6)
C8_1—C9_1—C10_1—C33_184 (6)C8_2—C9_2—C10_2—C32_224 (7)
C9_1—N2_1—C6_1—C5_1179 (4)C8_2—C9_2—C10_2—C33_288 (6)
C9_1—N2_1—C6_1—C7_10 (5)C9_2—N2_2—C6_2—C5_2151 (5)
C9_1—C10_1—C11_1—N3_127 (6)C9_2—N2_2—C6_2—C7_25 (5)
C9_1—C10_1—C11_1—C12_1146 (5)C9_2—C10_2—C11_2—N3_246 (7)
C10_1—C11_1—C12_1—C13_1167 (5)C9_2—C10_2—C11_2—C12_2140 (6)
C11_1—N3_1—C14_1—C13_12 (5)C10_2—C11_2—C12_2—C13_2175 (6)
C11_1—N3_1—C14_1—C15_1149 (4)C11_2—N3_2—C14_2—C13_20 (6)
C11_1—C12_1—C13_1—C14_16 (5)C11_2—N3_2—C14_2—C15_2171 (5)
C12_1—C13_1—C14_1—N3_13 (5)C11_2—C12_2—C13_2—C14_20 (6)
C12_1—C13_1—C14_1—C15_1153 (5)C12_2—C13_2—C14_2—N3_20 (5)
C13_1—C14_1—C15_1—C16_1145 (5)C12_2—C13_2—C14_2—C15_2172 (5)
C13_1—C14_1—C15_1—C31_129 (7)C13_2—C14_2—C15_2—C16_2170 (5)
C14_1—N3_1—C11_1—C10_1169 (4)C13_2—C14_2—C15_2—C31_210 (7)
C14_1—N3_1—C11_1—C12_15 (5)C14_2—N3_2—C11_2—C10_2176 (5)
C14_1—C15_1—C16_1—N4_15 (8)C14_2—N3_2—C11_2—C12_20 (5)
C14_1—C15_1—C16_1—C17_1165 (5)C14_2—C15_2—C16_2—N4_25 (8)
C14_1—C15_1—C31_1—C26_1102 (6)C14_2—C15_2—C16_2—C17_2173 (5)
C14_1—C15_1—C31_1—C30_184 (6)C14_2—C15_2—C31_2—C26_2101 (6)
C15_1—C16_1—C17_1—C18_1176 (5)C14_2—C15_2—C31_2—C30_270 (7)
C16_1—N4_1—C19_1—C18_13 (5)C15_2—C16_2—C17_2—C18_2178 (5)
C16_1—C15_1—C31_1—C26_172 (7)C16_2—N4_2—C19_2—C18_28 (5)
C16_1—C15_1—C31_1—C30_1102 (6)C16_2—C15_2—C31_2—C26_279 (7)
C16_1—C17_1—C18_1—C19_12 (5)C16_2—C15_2—C31_2—C30_2109 (6)
C17_1—C18_1—C19_1—N4_11 (5)C16_2—C17_2—C18_2—C19_22 (6)
C19_1—N4_1—C16_1—C15_1177 (4)C17_2—C18_2—C19_2—N4_24 (6)
C19_1—N4_1—C16_1—C17_15 (5)C19_2—N4_2—C16_2—C15_2180 (4)
C20_1—C21_1—C22_1—F3_1174 (4)C19_2—N4_2—C16_2—C17_210 (5)
C20_1—C21_1—C22_1—C23_11 (7)C20_2—C21_2—C22_2—F3_2176 (4)
C21_1—C20_1—C25_1—C5_1176 (5)C20_2—C21_2—C22_2—C23_217 (9)
C21_1—C20_1—C25_1—C24_111 (7)C21_2—C20_2—C25_2—C5_2177 (5)
C21_1—C22_1—C23_1—F4_1179 (4)C21_2—C20_2—C25_2—C24_21 (7)
C21_1—C22_1—C23_1—C24_14 (8)C21_2—C22_2—C23_2—F4_2173 (5)
C22_1—C23_1—C24_1—F5_1177 (5)C21_2—C22_2—C23_2—C24_213 (9)
C22_1—C23_1—C24_1—C25_13 (8)C22_2—C23_2—C24_2—F5_2173 (5)
C23_1—C24_1—C25_1—C5_1171 (5)C22_2—C23_2—C24_2—C25_22 (9)
C23_1—C24_1—C25_1—C20_15 (7)C23_2—C24_2—C25_2—C5_2178 (5)
C25_1—C5_1—C6_1—N2_1177 (4)C23_2—C24_2—C25_2—C20_23 (7)
C25_1—C5_1—C6_1—C7_14 (7)C25_2—C5_2—C6_2—N2_2179 (5)
C25_1—C20_1—C21_1—F2_1175 (4)C25_2—C5_2—C6_2—C7_225 (7)
C25_1—C20_1—C21_1—C22_19 (7)C25_2—C20_2—C21_2—F2_2179 (4)
C26_1—C27_1—C28_1—F8_1179 (4)C25_2—C20_2—C21_2—C22_210 (8)
C26_1—C27_1—C28_1—C29_13 (8)C26_2—C27_2—C28_2—F8_2179 (5)
C27_1—C26_1—C31_1—C15_1174 (5)C26_2—C27_2—C28_2—C29_22 (7)
C27_1—C26_1—C31_1—C30_11 (7)C27_2—C26_2—C31_2—C15_2173 (6)
C27_1—C28_1—C29_1—F9_1180 (5)C27_2—C26_2—C31_2—C30_20 (10)
C27_1—C28_1—C29_1—C30_16 (7)C27_2—C28_2—C29_2—F9_2179 (4)
C28_1—C29_1—C30_1—F10_1176 (4)C27_2—C28_2—C29_2—C30_23 (10)
C28_1—C29_1—C30_1—C31_16 (8)C28_2—C29_2—C30_2—F10_2176 (6)
C29_1—C30_1—C31_1—C15_1178 (5)C28_2—C29_2—C30_2—C31_22 (10)
C29_1—C30_1—C31_1—C26_12 (7)C29_2—C30_2—C31_2—C15_2173 (5)
C31_1—C15_1—C16_1—N4_1179 (5)C29_2—C30_2—C31_2—C26_21 (7)
C31_1—C15_1—C16_1—C17_19 (8)C31_2—C15_2—C16_2—N4_2174 (5)
C31_1—C26_1—C27_1—F7_1180 (4)C31_2—C15_2—C16_2—C17_26 (8)
C31_1—C26_1—C27_1—C28_11 (8)C31_2—C26_2—C27_2—F7_2178 (6)
C32_1—C10_1—C11_1—N3_1142 (4)C31_2—C26_2—C27_2—C28_21 (10)
C32_1—C10_1—C11_1—C12_131 (7)C32_2—C10_2—C11_2—N3_2160 (4)
C33_1—C10_1—C11_1—N3_1102 (5)C32_2—C10_2—C11_2—C12_226 (8)
C33_1—C10_1—C11_1—C12_184 (6)C33_2—C10_2—C11_2—N3_288 (6)
Ru1_2—N1_2—C1_2—C2_2155 (3)C33_2—C10_2—C11_2—C12_286 (7)
Ru1_2—N1_2—C4_2—C3_2159 (3)C34_2—Ru1_2—C35_2—O2_2105 (20)
Spectroscopic properties of Ru(CO)2[DMBil1] in acetonitrile top
Absorption λmax/nm (ε × 103 M–1 cm–1)Emission λmax/nm
Ru[DMBil1](CO)2481 (28.1), 538 (9.1)552
Electrochemical Data recorded for Ru(CO)2[DMBil1] top
Eox (vs. Fc+/Fc) (V)Ered (versus Fc+/Fc) (V)
Ru[DMBil](CO)20.91, 0.74–1.45, –1.73, –2.14
 

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