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The title compound, [Ru(C10H8N2)(C16H13N3)(CO)](PF6)2·2C3H6O, shows highly distorted octahedral geometry about the Ru atom because of the restrictions of the terdentate ligand, which includes a metallacyclic ring, and the chelating 2,2′-bi­pyridine ligand. The terdentate ligand is bound facially to the Ru atom.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680500142X/ac6152sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680500142X/ac6152Isup2.hkl
Contains datablock I

CCDC reference: 263565

Key indicators

  • Single-crystal X-ray study
  • T = 90 K
  • Mean [sigma](C-C) = 0.005 Å
  • Disorder in solvent or counterion
  • R factor = 0.034
  • wR factor = 0.089
  • Data-to-parameter ratio = 11.4

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT431_ALERT_2_B Short Inter HL..A Contact F5B .. F5B .. 2.50 Ang. PLAT432_ALERT_2_B Short Inter X...Y Contact C42 .. F7B .. 2.82 Ang.
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.24 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P2A PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P2B PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C50 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 30.00 Perc. PLAT432_ALERT_2_C Short Inter X...Y Contact O40 .. C22 .. 2.99 Ang.
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS90 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL.

cis-(2,2'-Bipyridyl-κ2N,N')carbonyl(η3-1-methylene-2,2':6',2''- terpyridyl-κ3C1,N,N')-ruthenium(II) bis(hexafluorophosphate) acetone disolvate top
Crystal data top
[Ru(C10H8N2)(C16H13N3)(CO)](PF6)2·2C3H6OZ = 2
Mr = 938.65F(000) = 944
Triclinic, P1Dx = 1.685 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 12.0293 (15) ÅCell parameters from 6669 reflections
b = 13.1788 (17) Åθ = 2.2–25.1°
c = 13.8881 (18) ŵ = 0.61 mm1
α = 68.211 (2)°T = 90 K
β = 72.262 (2)°Block, orange
γ = 67.135 (2)°0.23 × 0.19 × 0.15 mm
V = 1850.4 (4) Å3
Data collection top
Bruker SMART APEX CCD
diffractometer
6536 independent reflections
Radiation source: normal-focus sealed tube6284 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.013
ω scansθmax = 25.1°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Sheldrick, (1996)
h = 1413
Tmin = 0.852, Tmax = 0.909k = 1515
13720 measured reflectionsl = 1616
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.034Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.089H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.042P)2 + 2.9426P]
where P = (Fo2 + 2Fc2)/3
6536 reflections(Δ/σ)max = 0.01
572 parametersΔρmax = 2.02 e Å3
17 restraintsΔρmin = 0.90 e Å3
Special details top

Experimental. Data were collected with a Bruker SMART APEX CCD-based diffractometer using /w-scans of width 0.3 °. and 30 s duration at a crystal-to-detector distance of 4.908 cm. Intensity decay over the course of the data collection was evaluated by recollecting the first 50 frames of data at the end of the experiment. No significant decay was noted.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ru10.431596 (18)0.304304 (17)0.286510 (16)0.01606 (8)
O20.21469 (18)0.28627 (17)0.46214 (15)0.0234 (4)
N10.5463 (2)0.21213 (19)0.39659 (17)0.0192 (5)
N20.4720 (2)0.13000 (19)0.28985 (17)0.0191 (5)
N30.5860 (2)0.29287 (19)0.15861 (18)0.0203 (5)
N40.3530 (2)0.38964 (19)0.15500 (17)0.0181 (5)
N50.2519 (2)0.52890 (18)0.29769 (18)0.0191 (5)
C10.3900 (2)0.4778 (2)0.2784 (2)0.0208 (6)
H1A0.42370.48290.33260.025*
H1B0.42640.51990.20810.025*
C20.2956 (2)0.2960 (2)0.3926 (2)0.0178 (5)
C30.5767 (3)0.2595 (2)0.4509 (2)0.0225 (6)
H30.53500.33820.44760.027*
C40.6667 (3)0.1980 (3)0.5118 (2)0.0282 (6)
H40.68640.23400.54950.034*
C50.7278 (3)0.0836 (3)0.5171 (2)0.0303 (7)
H50.79100.04020.55750.036*
C60.6955 (3)0.0330 (3)0.4627 (2)0.0271 (6)
H60.73600.04580.46580.033*
C70.6035 (3)0.0983 (2)0.4034 (2)0.0213 (6)
C80.5599 (2)0.0520 (2)0.3456 (2)0.0203 (6)
C90.6001 (3)0.0635 (2)0.3483 (2)0.0267 (6)
H90.66250.11760.38670.032*
C100.5487 (3)0.0985 (3)0.2949 (2)0.0299 (7)
H100.57560.17680.29580.036*
C110.4574 (3)0.0182 (3)0.2399 (2)0.0283 (6)
H110.42000.04050.20320.034*
C120.4218 (3)0.0948 (2)0.2393 (2)0.0230 (6)
H120.35910.14980.20160.028*
C130.7047 (3)0.2483 (2)0.1661 (2)0.0243 (6)
H130.72730.24420.22760.029*
C140.7959 (3)0.2079 (3)0.0878 (3)0.0299 (7)
H140.87950.17720.09520.036*
C150.7627 (3)0.2131 (3)0.0012 (3)0.0309 (7)
H150.82330.18410.05510.037*
C160.6407 (3)0.2610 (2)0.0111 (2)0.0258 (6)
H160.61660.26610.07220.031*
C170.5536 (3)0.3016 (2)0.0696 (2)0.0215 (6)
C180.4223 (3)0.3631 (2)0.0648 (2)0.0206 (6)
C190.3739 (3)0.4028 (2)0.0257 (2)0.0252 (6)
H190.42160.37930.08670.030*
C200.2551 (3)0.4770 (3)0.0260 (2)0.0271 (6)
H200.21800.50060.08540.032*
C210.1909 (3)0.5167 (2)0.0609 (2)0.0249 (6)
H210.11230.57320.05950.030*
C220.2433 (2)0.4725 (2)0.1502 (2)0.0203 (6)
C230.1818 (2)0.5195 (2)0.2415 (2)0.0192 (5)
C240.0554 (3)0.5577 (2)0.2690 (2)0.0212 (6)
H240.00660.55320.22910.025*
C250.0013 (3)0.6025 (2)0.3537 (2)0.0242 (6)
H250.08830.62700.37340.029*
C260.0706 (3)0.6110 (2)0.4091 (2)0.0244 (6)
H260.03370.64170.46750.029*
C270.1962 (3)0.5747 (2)0.3791 (2)0.0222 (6)
H270.24530.58200.41680.027*
O400.8496 (2)0.7299 (2)0.7368 (2)0.0444 (6)
C400.9481 (3)0.7455 (3)0.7117 (3)0.0291 (7)
C411.0261 (3)0.7087 (4)0.7911 (3)0.0489 (10)
H41A1.02590.77660.80480.073*
H41B1.11040.66690.76400.073*
H41C0.99350.65850.85680.073*
C420.9978 (3)0.8022 (3)0.6005 (3)0.0393 (8)
H42A0.93830.82360.55590.059*
H42B1.07510.74880.57500.059*
H42C1.01270.87130.59770.059*
P10.31613 (7)0.45038 (6)0.66037 (6)0.02540 (17)
F10.32685 (17)0.53221 (16)0.71618 (14)0.0319 (4)
F20.30578 (18)0.36835 (17)0.60420 (18)0.0431 (5)
F3A0.1772 (4)0.5307 (5)0.6405 (5)0.0192 (10)0.50
F4A0.4541 (4)0.3686 (4)0.6710 (6)0.0312 (11)0.50
F5A0.3684 (6)0.5265 (5)0.5440 (3)0.0226 (9)0.50
F6A0.2608 (7)0.3743 (5)0.7677 (4)0.0394 (12)0.50
F3B0.2025 (12)0.5476 (11)0.6187 (10)0.034 (4)*0.25
F4B0.4233 (9)0.3514 (9)0.7241 (8)0.040 (3)*0.25
F5B0.4032 (11)0.4907 (9)0.5642 (9)0.040 (4)*0.25
F6B0.2148 (11)0.4164 (9)0.7738 (10)0.043 (3)*0.25
F3C0.1736 (11)0.5064 (10)0.6839 (8)0.042 (4)*0.25
F4C0.4636 (10)0.4019 (9)0.6308 (8)0.034 (3)*0.25
F5C0.3238 (10)0.5533 (9)0.5535 (9)0.037 (3)*0.25
F6C0.3139 (11)0.3502 (10)0.7673 (9)0.043 (4)*0.25
P2A0.11117 (14)0.92734 (8)0.24543 (9)0.0239 (2)0.80
F7A0.1455 (3)0.8408 (2)0.3564 (2)0.0472 (7)0.80
F8A0.0807 (3)1.0104 (2)0.1327 (2)0.0430 (7)0.80
F9A0.2485 (2)0.8736 (2)0.1886 (2)0.0465 (7)0.80
F10A0.0242 (3)0.9831 (4)0.3006 (3)0.0659 (10)0.80
F11A0.0713 (3)0.8340 (2)0.22916 (19)0.0419 (6)0.80
F12A0.1555 (2)1.0201 (2)0.25897 (19)0.0323 (5)0.80
P2B0.0569 (8)0.9322 (6)0.2707 (6)0.0473 (19)*0.20
F7B0.0816 (16)0.8843 (15)0.3821 (12)0.089 (2)*0.20
F8B0.0406 (16)0.9796 (15)0.1478 (12)0.089 (2)*0.20
F9B0.1655 (15)0.9891 (15)0.2274 (14)0.089 (2)*0.20
F10B0.0445 (14)0.8739 (13)0.3022 (12)0.089 (2)*0.20
F11B0.1585 (15)0.8201 (13)0.2388 (13)0.089 (2)*0.20
F12B0.0408 (16)1.0478 (14)0.2833 (15)0.089 (2)*0.20
O500.0653 (3)0.2800 (3)0.9581 (2)0.0622 (9)
C500.1527 (3)0.1977 (3)0.9480 (2)0.0347 (7)
C510.1551 (4)0.1255 (5)0.8873 (4)0.0617 (12)
H51A0.07070.13430.88600.093*
H51B0.19700.04470.92070.093*
H51C0.19900.14940.81490.093*
C520.2628 (3)0.1659 (3)0.9939 (3)0.0416 (8)
H52A0.33360.17390.93670.062*
H52B0.28030.08601.03870.062*
H52C0.24710.21681.03630.062*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.01439 (12)0.01498 (12)0.01493 (12)0.00371 (8)0.00327 (8)0.00059 (8)
O20.0213 (10)0.0265 (10)0.0192 (10)0.0087 (8)0.0004 (8)0.0044 (8)
N10.0155 (11)0.0200 (11)0.0173 (11)0.0052 (9)0.0026 (9)0.0006 (9)
N20.0180 (11)0.0190 (11)0.0152 (11)0.0055 (9)0.0006 (9)0.0018 (9)
N30.0195 (12)0.0168 (11)0.0207 (12)0.0068 (9)0.0028 (9)0.0006 (9)
N40.0180 (11)0.0168 (11)0.0160 (11)0.0061 (9)0.0026 (9)0.0008 (9)
N50.0190 (12)0.0148 (11)0.0191 (11)0.0048 (9)0.0044 (9)0.0000 (9)
C10.0177 (13)0.0199 (13)0.0223 (14)0.0068 (11)0.0045 (11)0.0018 (11)
C20.0201 (14)0.0144 (12)0.0186 (13)0.0036 (10)0.0093 (12)0.0018 (10)
C30.0200 (14)0.0234 (14)0.0226 (14)0.0075 (11)0.0039 (11)0.0043 (11)
C40.0267 (16)0.0338 (16)0.0252 (15)0.0114 (13)0.0082 (12)0.0048 (13)
C50.0240 (15)0.0328 (17)0.0285 (16)0.0052 (13)0.0123 (13)0.0008 (13)
C60.0223 (15)0.0232 (14)0.0272 (15)0.0021 (12)0.0070 (12)0.0013 (12)
C70.0190 (13)0.0213 (14)0.0170 (13)0.0061 (11)0.0015 (11)0.0002 (11)
C80.0182 (13)0.0199 (13)0.0155 (13)0.0054 (11)0.0006 (10)0.0002 (11)
C90.0266 (15)0.0191 (14)0.0239 (15)0.0017 (12)0.0045 (12)0.0009 (12)
C100.0357 (17)0.0183 (14)0.0297 (16)0.0067 (13)0.0036 (13)0.0045 (12)
C110.0343 (17)0.0272 (15)0.0253 (15)0.0130 (13)0.0029 (13)0.0081 (12)
C120.0232 (14)0.0234 (14)0.0187 (14)0.0074 (11)0.0040 (11)0.0018 (11)
C130.0208 (14)0.0221 (14)0.0273 (15)0.0082 (11)0.0042 (12)0.0029 (12)
C140.0199 (15)0.0267 (15)0.0369 (17)0.0055 (12)0.0002 (13)0.0082 (13)
C150.0267 (16)0.0295 (16)0.0309 (16)0.0060 (13)0.0031 (13)0.0123 (13)
C160.0267 (15)0.0225 (14)0.0239 (15)0.0065 (12)0.0012 (12)0.0061 (12)
C170.0225 (14)0.0171 (13)0.0204 (14)0.0084 (11)0.0012 (11)0.0003 (11)
C180.0221 (14)0.0163 (13)0.0185 (13)0.0072 (11)0.0006 (11)0.0008 (11)
C190.0294 (16)0.0255 (14)0.0160 (14)0.0094 (12)0.0012 (12)0.0024 (11)
C200.0294 (16)0.0294 (15)0.0170 (14)0.0080 (13)0.0080 (12)0.0008 (12)
C210.0230 (14)0.0239 (14)0.0209 (14)0.0040 (12)0.0062 (12)0.0007 (12)
C220.0183 (13)0.0193 (13)0.0191 (13)0.0065 (11)0.0038 (11)0.0001 (11)
C230.0197 (13)0.0162 (12)0.0168 (13)0.0054 (10)0.0046 (11)0.0012 (10)
C240.0192 (14)0.0203 (13)0.0211 (14)0.0053 (11)0.0063 (11)0.0016 (11)
C250.0191 (14)0.0206 (14)0.0260 (15)0.0035 (11)0.0030 (11)0.0031 (12)
C260.0267 (15)0.0198 (14)0.0235 (14)0.0054 (11)0.0033 (12)0.0058 (11)
C270.0260 (15)0.0159 (13)0.0234 (14)0.0054 (11)0.0070 (12)0.0035 (11)
O400.0364 (14)0.0502 (15)0.0561 (16)0.0210 (12)0.0051 (12)0.0203 (13)
C400.0238 (16)0.0280 (15)0.0383 (18)0.0015 (12)0.0070 (13)0.0185 (14)
C410.037 (2)0.063 (3)0.044 (2)0.0073 (18)0.0155 (17)0.0303 (19)
C420.0341 (18)0.046 (2)0.0382 (19)0.0084 (15)0.0054 (15)0.0184 (16)
P10.0227 (4)0.0212 (4)0.0314 (4)0.0070 (3)0.0060 (3)0.0057 (3)
F10.0351 (10)0.0363 (10)0.0274 (9)0.0154 (8)0.0001 (8)0.0126 (8)
F20.0327 (10)0.0355 (10)0.0733 (15)0.0047 (8)0.0189 (10)0.0278 (10)
F3A0.006 (2)0.022 (2)0.025 (3)0.0038 (18)0.000 (2)0.005 (2)
F4A0.022 (2)0.016 (2)0.054 (4)0.0027 (18)0.024 (3)0.005 (3)
F5A0.015 (3)0.037 (3)0.015 (2)0.012 (2)0.004 (2)0.008 (2)
F6A0.048 (4)0.035 (3)0.030 (2)0.028 (3)0.014 (3)0.017 (2)
P2A0.0277 (6)0.0239 (5)0.0208 (5)0.0078 (5)0.0093 (5)0.0035 (4)
F7A0.078 (2)0.0492 (16)0.0276 (13)0.0340 (15)0.0324 (14)0.0076 (11)
F8A0.0516 (16)0.0407 (15)0.0359 (14)0.0206 (12)0.0279 (12)0.0120 (11)
F9A0.0302 (13)0.0531 (16)0.0650 (18)0.0028 (11)0.0085 (12)0.0376 (14)
F10A0.0320 (17)0.095 (3)0.081 (2)0.0231 (19)0.0170 (15)0.055 (2)
F11A0.0686 (18)0.0412 (14)0.0318 (13)0.0337 (13)0.0257 (12)0.0029 (11)
F12A0.0329 (12)0.0301 (12)0.0373 (14)0.0103 (10)0.0059 (10)0.0134 (10)
O500.0449 (16)0.0593 (18)0.0367 (15)0.0175 (14)0.0023 (12)0.0039 (13)
C500.0268 (17)0.0412 (19)0.0216 (15)0.0060 (14)0.0020 (13)0.0003 (14)
C510.047 (2)0.095 (4)0.055 (3)0.026 (2)0.007 (2)0.033 (3)
C520.0383 (19)0.046 (2)0.040 (2)0.0192 (16)0.0112 (16)0.0022 (16)
Geometric parameters (Å, º) top
Ru1—N12.079 (2)C21—H210.9500
Ru1—N22.141 (2)C22—C231.481 (4)
Ru1—N32.145 (2)C23—C241.380 (4)
Ru1—N42.048 (2)C24—C251.383 (4)
Ru1—C12.108 (3)C24—H240.9500
Ru1—C21.846 (3)C25—C261.376 (4)
O2—C21.153 (3)C25—H250.9500
N1—C31.337 (4)C26—C271.374 (4)
N1—C71.365 (4)C26—H260.9500
N2—C121.338 (4)C27—H270.9500
N2—C81.355 (4)O40—C401.205 (4)
N3—C131.337 (4)C40—C411.488 (5)
N3—C171.359 (4)C40—C421.493 (5)
N4—C221.348 (4)C41—H41A0.9800
N4—C181.360 (4)C41—H41B0.9800
N5—C271.350 (4)C41—H41C0.9800
N5—C231.374 (4)C42—H42A0.9800
N5—C11.510 (3)C42—H42B0.9800
C1—H1A0.9900C42—H42C0.9800
C1—H1B0.9900P1—F5B1.489 (12)
C3—C41.382 (4)P1—F3C1.564 (12)
C3—H30.9500P1—F3B1.554 (14)
C4—C51.382 (4)P1—F6A1.573 (4)
C4—H40.9500P1—F6C1.580 (12)
C5—C61.386 (5)P1—F5C1.604 (12)
C5—H50.9500P1—F11.6031 (18)
C6—C71.390 (4)P1—F4A1.606 (4)
C6—H60.9500P1—F21.607 (2)
C7—C81.471 (4)P1—F4C1.611 (11)
C8—C91.395 (4)P1—F4B1.636 (11)
C9—C101.379 (5)P1—F5A1.637 (4)
C9—H90.9500P2A—F11A1.590 (2)
C10—C111.385 (4)P2A—F9A1.601 (3)
C10—H100.9500P2A—F8A1.596 (2)
C11—C121.378 (4)P2A—F7A1.601 (2)
C11—H110.9500P2A—F10A1.583 (3)
C12—H120.9500P2A—F12A1.598 (2)
C13—C141.385 (4)P2B—F7B1.514 (15)
C13—H130.9500P2B—F12B1.554 (15)
C14—C151.381 (5)P2B—F10B1.557 (14)
C14—H140.9500P2B—F9B1.606 (15)
C15—C161.382 (4)P2B—F11B1.621 (14)
C15—H150.9500P2B—F8B1.631 (15)
C16—C171.390 (4)O50—C501.200 (4)
C16—H160.9500C50—C511.476 (6)
C17—C181.478 (4)C50—C521.490 (5)
C18—C191.383 (4)C51—H51A0.9800
C19—C201.384 (4)C51—H51B0.9800
C19—H190.9500C51—H51C0.9800
C20—C211.382 (4)C52—H52A0.9800
C20—H200.9500C52—H52B0.9800
C21—C221.390 (4)C52—H52C0.9800
N4—Ru1—C2101.69 (10)C26—C25—C24118.8 (3)
N1—Ru1—C290.42 (10)C26—C25—H25120.6
N1—Ru1—N277.12 (9)C24—C25—H25120.6
N1—Ru1—N4167.70 (9)C27—C26—C25119.4 (3)
N2—Ru1—N380.53 (8)C27—C26—H26120.3
N3—Ru1—N476.52 (9)C25—C26—H26120.3
N1—Ru1—C1104.65 (10)N5—C27—C26121.9 (3)
N2—Ru1—C1178.13 (10)N5—C27—H27119.1
N3—Ru1—C198.77 (10)C26—C27—H27119.1
N3—Ru1—C2171.23 (10)O40—C40—C41121.1 (3)
N4—Ru1—C177.92 (10)O40—C40—C42122.1 (3)
C1—Ru1—C289.16 (11)C41—C40—C42116.8 (3)
C2—Ru1—N291.43 (10)C40—C41—H41A109.5
N4—Ru1—N2100.23 (9)C40—C41—H41B109.5
N1—Ru1—N391.19 (9)H41A—C41—H41B109.5
C3—N1—C7119.2 (2)C40—C41—H41C109.5
C3—N1—Ru1124.22 (19)H41A—C41—H41C109.5
C7—N1—Ru1116.18 (18)H41B—C41—H41C109.5
C12—N2—C8119.3 (2)C40—C42—H42A109.5
C12—N2—Ru1125.65 (19)C40—C42—H42B109.5
C8—N2—Ru1115.00 (18)H42A—C42—H42B109.5
C13—N3—C17118.9 (2)C40—C42—H42C109.5
C13—N3—Ru1126.7 (2)H42A—C42—H42C109.5
C17—N3—Ru1111.42 (18)H42B—C42—H42C109.5
C22—N4—C18118.6 (2)O50—C50—C51120.5 (4)
C22—N4—Ru1125.52 (18)O50—C50—C52121.8 (4)
C18—N4—Ru1115.75 (18)C51—C50—C52117.7 (3)
C27—N5—C23119.6 (2)C50—C52—H52A109.5
C27—N5—C1118.5 (2)C50—C52—H52B109.5
C23—N5—C1121.6 (2)H52A—C52—H52B109.5
Ru1—C1—N5107.35 (16)C50—C52—H52C109.5
N5—C1—H1A110.2H52A—C52—H52C109.5
Ru1—C1—H1A110.2H52B—C52—H52C109.5
N5—C1—H1B110.2C50—C51—H51A109.5
Ru1—C1—H1B110.2C50—C51—H51B109.5
H1A—C1—H1B108.5H51A—C51—H51B109.5
Ru1—C2—O2176.5 (2)C50—C51—H51C109.5
N1—C3—C4122.3 (3)H51A—C51—H51C109.5
N1—C3—H3118.9H51B—C51—H51C109.5
C4—C3—H3118.9F5B—P1—F3B92.9 (6)
C5—C4—C3119.2 (3)F3C—P1—F6C92.4 (6)
C5—C4—H4120.4F3C—P1—F5C89.4 (6)
C3—C4—H4120.4F6C—P1—F5C177.0 (5)
C4—C5—C6119.0 (3)F5B—P1—F191.2 (4)
C4—C5—H5120.5F3C—P1—F187.8 (4)
C6—C5—H5120.5F3B—P1—F189.1 (4)
C5—C6—C7119.5 (3)F6A—P1—F193.0 (2)
C5—C6—H6120.2F6C—P1—F191.9 (4)
C7—C6—H6120.2F5C—P1—F185.8 (4)
N1—C7—C6120.8 (3)F6A—P1—F4A92.3 (4)
N1—C7—C8115.5 (2)F1—P1—F4A91.03 (16)
C6—C7—C8123.7 (3)F5B—P1—F288.7 (4)
N2—C8—C9120.6 (3)F3C—P1—F292.4 (4)
N2—C8—C7114.9 (2)F3B—P1—F291.0 (4)
C9—C8—C7124.5 (3)F6A—P1—F287.1 (2)
C10—C9—C8119.6 (3)F6C—P1—F288.1 (4)
C10—C9—H9120.2F5C—P1—F294.2 (4)
C8—C9—H9120.2F1—P1—F2179.83 (12)
C9—C10—C11119.2 (3)F4A—P1—F288.85 (16)
C9—C10—H10120.4F3C—P1—F4C175.8 (6)
C11—C10—H10120.4F6C—P1—F4C91.4 (5)
C12—C11—C10118.8 (3)F5C—P1—F4C86.7 (5)
C12—C11—H11120.6F1—P1—F4C90.3 (4)
C10—C11—H11120.6F2—P1—F4C89.6 (4)
N2—C12—C11122.6 (3)F5B—P1—F4B94.9 (6)
N2—C12—H12118.7F3B—P1—F4B170.1 (6)
C11—C12—H12118.7F1—P1—F4B84.8 (3)
N3—C13—C14122.6 (3)F2—P1—F4B95.2 (3)
N3—C13—H13118.7F6A—P1—F5A175.5 (2)
C14—C13—H13118.7F1—P1—F5A91.08 (16)
C15—C14—C13118.7 (3)F4A—P1—F5A89.6 (3)
C15—C14—H14120.7F2—P1—F5A88.80 (17)
C13—C14—H14120.7F11A—P2A—F9A89.54 (15)
C14—C15—C16119.4 (3)F11A—P2A—F8A89.32 (14)
C14—C15—H15120.3F9A—P2A—F8A88.90 (16)
C16—C15—H15120.3F11A—P2A—F7A89.74 (13)
C15—C16—C17119.2 (3)F9A—P2A—F7A89.25 (17)
C15—C16—H16120.4F8A—P2A—F7A177.93 (19)
C17—C16—H16120.4F11A—P2A—F10A91.51 (19)
N3—C17—C16121.2 (3)F9A—P2A—F10A178.76 (19)
N3—C17—C18114.3 (2)F8A—P2A—F10A90.45 (19)
C16—C17—C18124.4 (3)F7A—P2A—F10A91.4 (2)
N4—C18—C19121.3 (3)F11A—P2A—F12A178.05 (18)
N4—C18—C17114.2 (2)F9A—P2A—F12A88.57 (15)
C19—C18—C17124.2 (3)F8A—P2A—F12A90.17 (14)
C20—C19—C18119.0 (3)F7A—P2A—F12A90.71 (14)
C20—C19—H19120.5F10A—P2A—F12A90.38 (16)
C18—C19—H19120.5F7B—P2B—F12B96.8 (10)
C21—C20—C19119.4 (3)F7B—P2B—F10B91.7 (10)
C21—C20—H20120.3F12B—P2B—F10B91.3 (10)
C19—C20—H20120.3F7B—P2B—F9B92.7 (10)
C20—C21—C22118.9 (3)F12B—P2B—F9B91.7 (10)
C20—C21—H21120.6F10B—P2B—F9B174.3 (9)
C22—C21—H21120.6F7B—P2B—F11B91.6 (9)
N4—C22—C21121.5 (3)F12B—P2B—F11B171.4 (9)
N4—C22—C23118.1 (2)F10B—P2B—F11B90.0 (9)
C21—C22—C23120.4 (2)F9B—P2B—F11B86.3 (10)
N5—C23—C24119.4 (2)F7B—P2B—F8B175.9 (11)
N5—C23—C22119.3 (2)F12B—P2B—F8B86.4 (10)
C24—C23—C22121.3 (2)F10B—P2B—F8B90.6 (9)
C23—C24—C25120.9 (3)F9B—P2B—F8B84.7 (10)
C23—C24—H24119.6F11B—P2B—F8B85.1 (9)
C25—C24—H24119.6
C2—Ru1—N1—C386.0 (2)Ru1—N2—C8—C76.1 (3)
N4—Ru1—N1—C3103.8 (4)N1—C7—C8—N22.5 (3)
C1—Ru1—N1—C33.2 (2)C6—C7—C8—N2178.1 (3)
N2—Ru1—N1—C3177.4 (2)N1—C7—C8—C9175.4 (3)
N3—Ru1—N1—C3102.6 (2)C6—C7—C8—C94.0 (4)
C2—Ru1—N1—C7101.5 (2)N2—C8—C9—C100.8 (4)
N4—Ru1—N1—C768.7 (5)C7—C8—C9—C10177.0 (3)
C1—Ru1—N1—C7169.26 (19)C8—C9—C10—C110.4 (4)
N2—Ru1—N1—C710.13 (18)C9—C10—C11—C120.8 (5)
N3—Ru1—N1—C769.88 (19)C8—N2—C12—C111.2 (4)
C2—Ru1—N2—C1283.8 (2)Ru1—N2—C12—C11176.0 (2)
N4—Ru1—N2—C1218.3 (2)C10—C11—C12—N20.0 (4)
N1—Ru1—N2—C12173.9 (2)C17—N3—C13—C141.6 (4)
N3—Ru1—N2—C1292.6 (2)Ru1—N3—C13—C14157.0 (2)
C2—Ru1—N2—C898.8 (2)N3—C13—C14—C150.5 (4)
N4—Ru1—N2—C8159.06 (18)C13—C14—C15—C161.7 (5)
N1—Ru1—N2—C88.68 (18)C14—C15—C16—C170.8 (4)
N3—Ru1—N2—C884.74 (19)C13—N3—C17—C162.6 (4)
N4—Ru1—N3—C13175.1 (2)Ru1—N3—C17—C16159.2 (2)
N1—Ru1—N3—C135.2 (2)C13—N3—C17—C18173.8 (2)
C1—Ru1—N3—C1399.8 (2)Ru1—N3—C17—C1824.4 (3)
N2—Ru1—N3—C1381.9 (2)C15—C16—C17—N31.4 (4)
N4—Ru1—N3—C1724.94 (18)C15—C16—C17—C18174.6 (3)
N1—Ru1—N3—C17154.80 (18)C22—N4—C18—C1912.3 (4)
C1—Ru1—N3—C17100.18 (19)Ru1—N4—C18—C19171.2 (2)
N2—Ru1—N3—C1778.07 (18)C22—N4—C18—C17161.0 (2)
C2—Ru1—N4—C2234.4 (2)Ru1—N4—C18—C1715.5 (3)
N1—Ru1—N4—C22155.6 (4)N3—C17—C18—N47.0 (3)
C1—Ru1—N4—C2252.2 (2)C16—C17—C18—N4176.8 (3)
N2—Ru1—N4—C22128.0 (2)N3—C17—C18—C19166.2 (3)
N3—Ru1—N4—C22154.4 (2)C16—C17—C18—C1910.1 (4)
C2—Ru1—N4—C18149.37 (19)N4—C18—C19—C204.4 (4)
N1—Ru1—N4—C1820.6 (5)C17—C18—C19—C20168.3 (3)
C1—Ru1—N4—C18124.0 (2)C18—C19—C20—C214.8 (4)
N2—Ru1—N4—C1855.75 (19)C19—C20—C21—C226.0 (4)
N3—Ru1—N4—C1821.83 (18)C18—N4—C22—C2111.1 (4)
C27—N5—C1—Ru1121.7 (2)Ru1—N4—C22—C21172.7 (2)
C23—N5—C1—Ru151.7 (3)C18—N4—C22—C23166.1 (2)
C2—Ru1—C1—N536.20 (18)Ru1—N4—C22—C2310.1 (3)
N4—Ru1—C1—N565.95 (17)C20—C21—C22—N42.1 (4)
N1—Ru1—C1—N5126.42 (17)C20—C21—C22—C23175.1 (3)
N3—Ru1—C1—N5140.03 (17)C27—N5—C23—C240.3 (4)
C7—N1—C3—C41.9 (4)C1—N5—C23—C24173.7 (2)
Ru1—N1—C3—C4170.4 (2)C27—N5—C23—C22178.2 (2)
N1—C3—C4—C50.1 (4)C1—N5—C23—C228.5 (4)
C3—C4—C5—C61.1 (5)N4—C22—C23—N534.0 (4)
C4—C5—C6—C70.5 (5)C21—C22—C23—N5143.2 (3)
C3—N1—C7—C62.5 (4)N4—C22—C23—C24148.2 (3)
Ru1—N1—C7—C6170.4 (2)C21—C22—C23—C2434.5 (4)
C3—N1—C7—C8176.9 (2)N5—C23—C24—C251.6 (4)
Ru1—N1—C7—C810.2 (3)C22—C23—C24—C25179.4 (2)
C5—C6—C7—N11.3 (4)C23—C24—C25—C261.5 (4)
C5—C6—C7—C8178.0 (3)C24—C25—C26—C270.2 (4)
C12—N2—C8—C91.6 (4)C23—N5—C27—C261.0 (4)
Ru1—N2—C8—C9175.9 (2)C1—N5—C27—C26172.5 (2)
C12—N2—C8—C7176.4 (2)C25—C26—C27—N51.1 (4)
 

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