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The asymmetric unit of the title compound, [Ru(C10H8N2)2(C30H20N2)](PF6)2, contains a monomeric [Ru(bpy)2(dtephen)] cation {bpy is 2,2′-bipyridine and dtephen is 3,8-bis­[2-(4-tol­yl)ethyn­yl]-1,10-phenanthroline} and two hexa­fluoro­phosphate anions. The ruthenium(II) ion is in a distorted octa­hedral environment coordinated by two bpy ligands and one dtephen ligand. The dtephen ligand is almost planar. π–π stacking inter­actions and C—H...F hydrogen bonds are observed in the crystal structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806011834/ci2037sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806011834/ci2037Isup2.hkl
Contains datablock I

CCDC reference: 608386

Key indicators

  • Single-crystal synchrotron study
  • T = 120 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.056
  • wR factor = 0.127
  • Data-to-parameter ratio = 20.5

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.92
Author Response: The reason of limited numbers of reflection is caused by that the crystal of present complex is very thin and many trials of crystal growing are unsuccessful. But the reflection data obtained by the synchrotron radiation experiments is sufficiently reliable.


Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.86 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.17 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P2 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.40 PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C2 - C13 ... 1.43 Ang. PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C9 - C22 ... 1.44 Ang. PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C14 - C15 ... 1.44 Ang. PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C23 - C24 ... 1.43 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact F4 .. C50 .. 2.92 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 69.00 A   3
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 12 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 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: This work is collaboration between my synthetic team and another measurable group because the synchrotron radiation experiments were performed at the SPring-8 with the approval of the Japan Synchrotron Radiation.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: DIP XPRESS (MacScience, 1999); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Bis(2,2'-bipyridine){3,8-bis[2-(4-tolyl)ethynyl]-1,10- phenanthroline}ruthenium(II) bis(hexafluorophosphate) top
Crystal data top
[Ru(C10H8N2)2(C30H20N2)](PF6)2Z = 2
Mr = 1111.86F(000) = 1120
Triclinic, P1Dx = 1.551 Mg m3
Hall symbol: -P 1Synchrotron radiation, λ = 0.3282 Å
a = 11.284 (1) ÅCell parameters from 11846 reflections
b = 13.083 (1) Åθ = 0.9–13.5°
c = 17.760 (1) ŵ = 0.28 mm1
α = 98.922 (3)°T = 120 K
β = 94.625 (2)°Plate, orange
γ = 111.605 (4)°0.14 × 0.12 × 0.02 mm
V = 2381.0 (3) Å3
Data collection top
MacScience DIP LABO
diffractometer
13149 independent reflections
Radiation source: SPring-8 BL04B2 bending magnet beamline9834 reflections with I > 2σ(I)
Si 111 monochromatorRint = 0.059
Detector resolution: 10 pixels mm-1θmax = 13.5°, θmin = 0.9°
oscillation method, ω scansh = 1616
Absorption correction: multi-scan
(PLATON; Spek, 2003)
k = 1818
Tmin = 0.962, Tmax = 0.994l = 2525
24479 measured reflections
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)] = 0.056Hydrogen site location: difference Fourier map
wR(F2) = 0.127H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0363P)2 + 4.6215P]
where P = (Fo2 + 2Fc2)/3
13149 reflections(Δ/σ)max = 0.001
640 parametersΔρmax = 1.27 e Å3
0 restraintsΔρmin = 0.78 e Å3
Special details top

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

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.7936 (3)0.6582 (3)0.10921 (19)0.0251 (7)
H10.82910.72240.08710.030*
C20.7077 (3)0.5571 (3)0.0611 (2)0.0275 (7)
C30.6551 (3)0.4632 (3)0.0922 (2)0.0310 (8)
H30.59670.39460.06060.037*
C40.6889 (3)0.4703 (3)0.1716 (2)0.0279 (7)
C50.6399 (3)0.3775 (3)0.2099 (2)0.0349 (8)
H50.58120.30680.18110.042*
C60.6761 (4)0.3893 (3)0.2864 (2)0.0344 (8)
H60.64010.32720.31060.041*
C70.7672 (3)0.4931 (3)0.3316 (2)0.0268 (7)
C80.8111 (3)0.5094 (3)0.4105 (2)0.0311 (8)
H80.77900.45000.43760.037*
C90.9008 (3)0.6121 (3)0.4482 (2)0.0282 (7)
C100.9453 (3)0.6991 (3)0.40672 (19)0.0246 (6)
H101.00800.76960.43300.030*
C110.7755 (3)0.5729 (3)0.21487 (19)0.0224 (6)
C120.8147 (3)0.5842 (3)0.2950 (2)0.0241 (6)
C130.6802 (3)0.5571 (3)0.0190 (2)0.0325 (8)
C140.6606 (3)0.5608 (3)0.0853 (2)0.0322 (8)
C150.6386 (3)0.5629 (3)0.1657 (2)0.0292 (7)
C160.5571 (3)0.4680 (3)0.2180 (2)0.0292 (7)
H160.51160.40150.20030.035*
C170.5412 (4)0.4692 (4)0.2960 (2)0.0358 (8)
H170.48560.40300.33120.043*
C180.6048 (4)0.5650 (4)0.3235 (2)0.0413 (9)
C190.6838 (5)0.6600 (4)0.2703 (3)0.0540 (12)
H190.72760.72690.28800.065*
C200.7011 (4)0.6607 (4)0.1926 (3)0.0479 (11)
H200.75540.72750.15750.058*
C210.5887 (6)0.5662 (5)0.4082 (3)0.0636 (14)
H21A0.53820.49000.43720.095*
H21B0.67370.59420.42470.095*
H21C0.54370.61540.41780.095*
C220.9510 (4)0.6350 (3)0.5288 (2)0.0313 (8)
C230.9904 (4)0.6561 (3)0.5958 (2)0.0331 (8)
C241.0348 (4)0.6782 (3)0.6768 (2)0.0318 (8)
C250.9723 (4)0.6036 (4)0.7217 (2)0.0385 (9)
H250.89930.53770.69870.046*
C261.0155 (4)0.6246 (4)0.8002 (2)0.0431 (10)
H260.97220.57180.83010.052*
C271.1197 (4)0.7202 (4)0.8357 (2)0.0409 (9)
C281.1819 (4)0.7955 (4)0.7912 (3)0.0456 (10)
H281.25370.86220.81470.055*
C291.1410 (4)0.7751 (4)0.7126 (3)0.0411 (9)
H291.18550.82750.68280.049*
C301.1652 (5)0.7409 (5)0.9211 (3)0.0580 (14)
H30A1.09720.74830.94990.087*
H30B1.24280.81010.93600.087*
H30C1.18510.67770.93300.087*
C310.6982 (3)0.8209 (3)0.2811 (2)0.0313 (8)
H310.66340.75840.23930.038*
C320.6158 (4)0.8622 (4)0.3152 (2)0.0374 (9)
H320.52560.82780.29780.045*
C330.6650 (4)0.9537 (4)0.3748 (2)0.0393 (9)
H330.60940.98300.39960.047*
C340.7963 (4)1.0025 (3)0.3981 (2)0.0352 (8)
H340.83251.06680.43850.042*
C350.8751 (3)0.9571 (3)0.36199 (18)0.0249 (6)
C361.0157 (3)1.0015 (3)0.38292 (19)0.0263 (7)
C371.0875 (4)1.1007 (3)0.4341 (2)0.0410 (9)
H371.04641.14630.45760.049*
C381.2200 (4)1.1334 (4)0.4508 (2)0.0483 (11)
H381.27051.20150.48580.058*
C391.2768 (4)1.0664 (4)0.4162 (2)0.0446 (10)
H391.36721.08660.42750.054*
C401.2020 (3)0.9701 (3)0.3650 (2)0.0340 (8)
H401.24240.92440.34080.041*
C411.1357 (3)0.6816 (3)0.2424 (2)0.0328 (8)
H411.09720.64400.28120.039*
C421.2278 (4)0.6526 (4)0.2094 (3)0.0400 (9)
H421.25210.59610.22520.048*
C431.2841 (4)0.7066 (4)0.1533 (2)0.0406 (10)
H431.34780.68760.12960.049*
C441.2474 (4)0.7885 (4)0.1317 (2)0.0352 (8)
H441.28580.82670.09310.042*
C451.1541 (3)0.8146 (3)0.16664 (19)0.0255 (7)
C461.1100 (3)0.9014 (3)0.14876 (19)0.0258 (7)
C471.1607 (4)0.9703 (3)0.0979 (2)0.0342 (8)
H471.22860.96310.07210.041*
C481.1121 (4)1.0494 (4)0.0849 (2)0.0370 (9)
H481.14511.09670.04970.044*
C491.0151 (4)1.0589 (3)0.1238 (2)0.0366 (8)
H490.98081.11340.11610.044*
C500.9681 (3)0.9885 (3)0.1740 (2)0.0292 (7)
H500.90150.99620.20090.035*
N10.8271 (2)0.6674 (2)0.18446 (16)0.0216 (5)
N20.9032 (2)0.6868 (2)0.33198 (15)0.0201 (5)
N30.8257 (2)0.8654 (2)0.30448 (15)0.0209 (5)
N41.0729 (3)0.9369 (2)0.34732 (15)0.0236 (6)
N51.0978 (2)0.7608 (2)0.22206 (16)0.0232 (6)
N61.0125 (2)0.9094 (2)0.18654 (15)0.0218 (5)
Ru10.95586 (2)0.80431 (2)0.262979 (14)0.01810 (6)
F10.4604 (3)0.8446 (5)0.0315 (3)0.124 (2)
F20.6590 (4)0.9744 (2)0.02938 (19)0.0729 (10)
F30.5922 (3)0.8002 (3)0.04020 (17)0.0834 (11)
F40.7400 (3)0.8539 (4)0.0602 (3)0.0953 (14)
F50.5469 (3)0.7308 (2)0.06838 (19)0.0634 (8)
F60.6097 (5)0.9022 (3)0.13492 (18)0.1074 (16)
P10.59971 (9)0.85293 (9)0.04765 (6)0.0316 (2)
F70.2254 (2)0.7957 (3)0.47335 (18)0.0623 (8)
F80.4386 (2)0.8858 (2)0.49884 (17)0.0502 (7)
F90.3453 (4)0.7396 (3)0.55187 (17)0.0768 (10)
F100.4674 (3)0.7288 (3)0.45881 (18)0.0637 (8)
F110.2494 (3)0.6346 (2)0.4353 (2)0.0770 (10)
F120.3462 (3)0.7819 (3)0.38131 (15)0.0684 (9)
P20.34459 (8)0.76007 (8)0.46645 (6)0.02821 (19)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0202 (14)0.0330 (17)0.0265 (15)0.0163 (13)0.0038 (12)0.0031 (14)
C20.0215 (14)0.0324 (18)0.0307 (17)0.0175 (14)0.0001 (13)0.0039 (15)
C30.0230 (15)0.0295 (18)0.0370 (18)0.0139 (14)0.0011 (14)0.0098 (16)
C40.0197 (14)0.0280 (17)0.0373 (18)0.0135 (13)0.0050 (13)0.0008 (15)
C50.0287 (17)0.0229 (16)0.051 (2)0.0105 (14)0.0095 (16)0.0013 (17)
C60.0323 (18)0.0247 (17)0.049 (2)0.0127 (15)0.0139 (17)0.0088 (17)
C70.0242 (15)0.0255 (16)0.0378 (18)0.0147 (13)0.0120 (14)0.0099 (15)
C80.0293 (17)0.0341 (19)0.041 (2)0.0192 (15)0.0168 (15)0.0174 (17)
C90.0258 (15)0.0362 (19)0.0305 (17)0.0180 (14)0.0084 (13)0.0122 (15)
C100.0204 (14)0.0328 (17)0.0250 (15)0.0132 (13)0.0070 (12)0.0092 (14)
C110.0173 (13)0.0265 (16)0.0287 (16)0.0145 (12)0.0062 (12)0.0043 (13)
C120.0159 (13)0.0265 (16)0.0342 (17)0.0129 (12)0.0079 (12)0.0048 (14)
C130.0272 (16)0.037 (2)0.0322 (18)0.0177 (15)0.0018 (14)0.0059 (16)
C140.0260 (16)0.0344 (19)0.0372 (19)0.0175 (15)0.0030 (14)0.0037 (16)
C150.0253 (15)0.0325 (18)0.0299 (17)0.0141 (14)0.0033 (13)0.0006 (15)
C160.0241 (15)0.0310 (18)0.0353 (18)0.0168 (14)0.0011 (14)0.0009 (15)
C170.0382 (19)0.041 (2)0.0300 (18)0.0236 (17)0.0039 (15)0.0027 (17)
C180.044 (2)0.056 (3)0.034 (2)0.029 (2)0.0081 (17)0.010 (2)
C190.050 (3)0.052 (3)0.054 (3)0.008 (2)0.015 (2)0.018 (2)
C200.041 (2)0.043 (2)0.047 (2)0.0051 (19)0.0021 (19)0.001 (2)
C210.086 (4)0.077 (4)0.040 (2)0.042 (3)0.013 (3)0.015 (3)
C220.0319 (17)0.0351 (19)0.0360 (19)0.0184 (16)0.0115 (15)0.0156 (17)
C230.0364 (19)0.038 (2)0.0362 (19)0.0231 (17)0.0115 (16)0.0150 (17)
C240.0356 (18)0.038 (2)0.0324 (18)0.0242 (16)0.0058 (15)0.0105 (16)
C250.041 (2)0.041 (2)0.0331 (19)0.0154 (18)0.0032 (16)0.0087 (18)
C260.051 (2)0.047 (2)0.033 (2)0.019 (2)0.0074 (18)0.0103 (19)
C270.049 (2)0.043 (2)0.038 (2)0.031 (2)0.0007 (18)0.0010 (19)
C280.042 (2)0.036 (2)0.058 (3)0.0179 (18)0.006 (2)0.005 (2)
C290.040 (2)0.038 (2)0.051 (2)0.0186 (18)0.0045 (18)0.017 (2)
C300.077 (3)0.060 (3)0.041 (2)0.044 (3)0.013 (2)0.007 (2)
C310.0197 (15)0.0333 (18)0.0405 (19)0.0106 (14)0.0103 (14)0.0024 (16)
C320.0254 (17)0.047 (2)0.052 (2)0.0224 (17)0.0188 (16)0.016 (2)
C330.048 (2)0.052 (2)0.039 (2)0.035 (2)0.0272 (19)0.0196 (19)
C340.052 (2)0.038 (2)0.0287 (17)0.0291 (19)0.0152 (17)0.0104 (17)
C350.0320 (16)0.0255 (16)0.0208 (14)0.0141 (14)0.0074 (13)0.0064 (13)
C360.0315 (16)0.0246 (16)0.0203 (14)0.0076 (13)0.0011 (13)0.0071 (13)
C370.054 (2)0.031 (2)0.0319 (19)0.0120 (18)0.0005 (18)0.0024 (17)
C380.052 (3)0.035 (2)0.034 (2)0.0048 (19)0.0138 (18)0.0043 (19)
C390.033 (2)0.047 (3)0.037 (2)0.0022 (17)0.0084 (16)0.011 (2)
C400.0187 (15)0.044 (2)0.0310 (18)0.0030 (14)0.0015 (13)0.0099 (17)
C410.0220 (15)0.043 (2)0.043 (2)0.0200 (15)0.0100 (15)0.0145 (18)
C420.0267 (17)0.050 (2)0.054 (2)0.0256 (18)0.0085 (17)0.013 (2)
C430.0295 (18)0.058 (3)0.045 (2)0.0292 (19)0.0128 (17)0.006 (2)
C440.0279 (17)0.052 (2)0.0301 (18)0.0186 (17)0.0138 (14)0.0082 (18)
C450.0169 (13)0.0342 (18)0.0269 (16)0.0110 (13)0.0059 (12)0.0061 (14)
C460.0192 (14)0.0325 (18)0.0247 (15)0.0089 (13)0.0051 (12)0.0047 (14)
C470.0307 (18)0.039 (2)0.0328 (18)0.0115 (16)0.0143 (15)0.0080 (17)
C480.040 (2)0.039 (2)0.0330 (19)0.0119 (17)0.0120 (16)0.0138 (18)
C490.046 (2)0.039 (2)0.036 (2)0.0253 (18)0.0099 (17)0.0153 (18)
C500.0303 (17)0.0328 (18)0.0309 (17)0.0166 (15)0.0106 (14)0.0114 (15)
N10.0145 (11)0.0249 (13)0.0274 (13)0.0110 (10)0.0036 (10)0.0015 (11)
N20.0117 (10)0.0257 (13)0.0270 (13)0.0110 (10)0.0049 (10)0.0060 (11)
N30.0197 (12)0.0257 (13)0.0225 (12)0.0122 (11)0.0092 (10)0.0081 (11)
N40.0203 (12)0.0258 (14)0.0208 (12)0.0041 (11)0.0008 (10)0.0067 (11)
N50.0147 (11)0.0305 (14)0.0279 (14)0.0119 (11)0.0045 (10)0.0069 (12)
N60.0163 (11)0.0268 (14)0.0214 (12)0.0080 (10)0.0038 (10)0.0026 (11)
Ru10.01125 (9)0.02360 (11)0.02074 (11)0.00803 (8)0.00315 (7)0.00449 (9)
F10.054 (2)0.240 (6)0.155 (4)0.091 (3)0.067 (2)0.145 (4)
F20.121 (3)0.0482 (17)0.077 (2)0.0446 (19)0.062 (2)0.0352 (17)
F30.090 (2)0.081 (2)0.0423 (16)0.0047 (19)0.0241 (16)0.0065 (17)
F40.0377 (16)0.122 (3)0.144 (4)0.0268 (18)0.0136 (19)0.088 (3)
F50.0670 (18)0.0409 (15)0.080 (2)0.0106 (14)0.0340 (16)0.0186 (16)
F60.208 (5)0.052 (2)0.0365 (16)0.018 (3)0.043 (2)0.0069 (16)
P10.0270 (4)0.0350 (5)0.0319 (5)0.0099 (4)0.0066 (4)0.0081 (4)
F70.0248 (12)0.080 (2)0.078 (2)0.0224 (13)0.0090 (12)0.0015 (17)
F80.0302 (11)0.0311 (12)0.0791 (19)0.0042 (10)0.0053 (12)0.0028 (13)
F90.101 (3)0.075 (2)0.0428 (16)0.0134 (19)0.0076 (16)0.0318 (17)
F100.0497 (15)0.0638 (19)0.082 (2)0.0397 (15)0.0093 (15)0.0080 (17)
F110.0642 (19)0.0391 (16)0.091 (2)0.0090 (14)0.0002 (17)0.0144 (17)
F120.0521 (16)0.125 (3)0.0370 (14)0.0367 (18)0.0144 (12)0.0296 (17)
P20.0209 (4)0.0280 (5)0.0315 (5)0.0056 (3)0.0007 (3)0.0050 (4)
Geometric parameters (Å, º) top
C1—N11.334 (4)C31—H310.95
C1—C21.410 (5)C32—C331.373 (6)
C1—H10.95C32—H320.95
C2—C31.376 (5)C33—C341.377 (6)
C2—C131.431 (5)C33—H330.95
C3—C41.411 (5)C34—C351.384 (5)
C3—H30.95C34—H340.95
C4—C111.393 (5)C35—N31.352 (4)
C4—C51.437 (5)C35—C361.468 (5)
C5—C61.355 (6)C36—N41.353 (4)
C5—H50.95C36—C371.381 (5)
C6—C71.431 (5)C37—C381.387 (6)
C6—H60.95C37—H370.95
C7—C121.399 (5)C38—C391.368 (7)
C7—C81.405 (5)C38—H380.95
C8—C91.374 (5)C39—C401.365 (6)
C8—H80.95C39—H390.95
C9—C101.411 (5)C40—N41.352 (4)
C9—C221.438 (5)C40—H400.95
C10—N21.338 (4)C41—N51.343 (5)
C10—H100.95C41—C421.372 (5)
C11—N11.374 (4)C41—H410.95
C11—C121.423 (5)C42—C431.373 (6)
C12—N21.366 (4)C42—H420.95
C13—C141.191 (5)C43—C441.376 (6)
C14—C151.436 (5)C43—H430.95
C15—C161.383 (5)C44—C451.383 (4)
C15—C201.394 (6)C44—H440.95
C16—C171.386 (5)C45—N51.362 (4)
C16—H160.95C45—C461.463 (5)
C17—C181.381 (6)C46—N61.361 (4)
C17—H170.95C46—C471.382 (5)
C18—C191.385 (7)C47—C481.378 (6)
C18—C211.503 (6)C47—H470.95
C19—C201.376 (7)C48—C491.372 (5)
C19—H190.95C48—H480.95
C20—H200.95C49—C501.377 (5)
C21—H21A0.98C49—H490.95
C21—H21B0.98C50—N61.345 (4)
C21—H21C0.98C50—H500.95
C22—C231.188 (5)N1—Ru12.061 (3)
C23—C241.432 (5)N2—Ru12.061 (3)
C24—C251.383 (6)N3—Ru12.049 (2)
C24—C291.398 (6)N4—Ru12.046 (3)
C25—C261.389 (6)N5—Ru12.037 (2)
C25—H250.95N6—Ru12.053 (3)
C26—C271.378 (6)F1—P11.536 (3)
C26—H260.95F2—P11.578 (3)
C27—C281.383 (7)F3—P11.587 (3)
C27—C301.512 (6)F4—P11.575 (3)
C28—C291.387 (6)F5—P11.600 (3)
C28—H280.95F6—P11.562 (3)
C29—H290.95F7—P21.585 (3)
C30—H30A0.98F8—P21.576 (2)
C30—H30B0.98F9—P21.581 (3)
C30—H30C0.98F10—P21.593 (3)
C31—N31.339 (4)F11—P21.574 (3)
C31—C321.372 (5)F12—P21.582 (3)
N1—C1—C2122.9 (3)C36—C37—C38119.5 (4)
N1—C1—H1118.6C36—C37—H37120.3
C2—C1—H1118.6C38—C37—H37120.3
C3—C2—C1119.4 (3)C39—C38—C37119.1 (4)
C3—C2—C13122.8 (3)C39—C38—H38120.4
C1—C2—C13117.8 (4)C37—C38—H38120.4
C2—C3—C4119.1 (3)C40—C39—C38119.1 (4)
C2—C3—H3120.5C40—C39—H39120.4
C4—C3—H3120.5C38—C39—H39120.4
C11—C4—C3117.9 (3)N4—C40—C39122.9 (4)
C11—C4—C5118.4 (3)N4—C40—H40118.6
C3—C4—C5123.7 (3)C39—C40—H40118.6
C6—C5—C4121.0 (4)N5—C41—C42122.8 (4)
C6—C5—H5119.5N5—C41—H41118.6
C4—C5—H5119.5C42—C41—H41118.6
C5—C6—C7121.5 (4)C41—C42—C43119.0 (4)
C5—C6—H6119.2C41—C42—H42120.5
C7—C6—H6119.2C43—C42—H42120.5
C12—C7—C8118.1 (3)C42—C43—C44119.4 (3)
C12—C7—C6117.9 (3)C42—C43—H43120.3
C8—C7—C6124.0 (3)C44—C43—H43120.3
C9—C8—C7119.3 (3)C43—C44—C45119.5 (4)
C9—C8—H8120.3C43—C44—H44120.3
C7—C8—H8120.3C45—C44—H44120.3
C8—C9—C10119.0 (3)N5—C45—C44121.2 (3)
C8—C9—C22122.6 (3)N5—C45—C46115.1 (3)
C10—C9—C22118.4 (3)C44—C45—C46123.7 (3)
N2—C10—C9123.0 (3)N6—C46—C47121.7 (3)
N2—C10—H10118.5N6—C46—C45114.3 (3)
C9—C10—H10118.5C47—C46—C45124.1 (3)
N1—C11—C4123.3 (3)C48—C47—C46119.6 (3)
N1—C11—C12116.4 (3)C48—C47—H47120.2
C4—C11—C12120.3 (3)C46—C47—H47120.2
N2—C12—C7123.0 (3)C49—C48—C47119.0 (4)
N2—C12—C11116.1 (3)C49—C48—H48120.5
C7—C12—C11120.9 (3)C47—C48—H48120.5
C14—C13—C2177.7 (5)C48—C49—C50119.3 (4)
C13—C14—C15178.4 (4)C48—C49—H49120.4
C16—C15—C20118.7 (4)C50—C49—H49120.4
C16—C15—C14121.0 (4)N6—C50—C49122.8 (3)
C20—C15—C14120.3 (4)N6—C50—H50118.6
C15—C16—C17120.7 (4)C49—C50—H50118.6
C15—C16—H16119.7C1—N1—C11117.4 (3)
C17—C16—H16119.7C1—N1—Ru1128.7 (2)
C18—C17—C16121.1 (4)C11—N1—Ru1113.8 (2)
C18—C17—H17119.5C10—N2—C12117.5 (3)
C16—C17—H17119.5C10—N2—Ru1128.2 (2)
C17—C18—C19117.6 (4)C12—N2—Ru1114.3 (2)
C17—C18—C21121.2 (4)C31—N3—C35118.5 (3)
C19—C18—C21121.1 (5)C31—N3—Ru1125.8 (2)
C20—C19—C18122.2 (5)C35—N3—Ru1115.7 (2)
C20—C19—H19118.9C40—N4—C36118.2 (3)
C18—C19—H19118.9C40—N4—Ru1125.6 (3)
C19—C20—C15119.7 (4)C36—N4—Ru1115.8 (2)
C19—C20—H20120.2C41—N5—C45118.2 (3)
C15—C20—H20120.2C41—N5—Ru1126.0 (2)
C18—C21—H21A109.5C45—N5—Ru1115.8 (2)
C18—C21—H21B109.5C50—N6—C46117.8 (3)
H21A—C21—H21B109.5C50—N6—Ru1126.4 (2)
C18—C21—H21C109.5C46—N6—Ru1115.7 (2)
H21A—C21—H21C109.5N5—Ru1—N496.83 (11)
H21B—C21—H21C109.5N5—Ru1—N3173.92 (11)
C23—C22—C9177.9 (4)N4—Ru1—N378.78 (11)
C22—C23—C24178.2 (5)N5—Ru1—N679.00 (11)
C25—C24—C29118.3 (4)N4—Ru1—N686.83 (11)
C25—C24—C23120.3 (4)N3—Ru1—N696.45 (10)
C29—C24—C23121.4 (4)N5—Ru1—N296.06 (10)
C24—C25—C26120.4 (4)N4—Ru1—N297.08 (11)
C24—C25—H25119.8N3—Ru1—N288.71 (10)
C26—C25—H25119.8N6—Ru1—N2174.07 (10)
C27—C26—C25121.4 (4)N5—Ru1—N186.89 (10)
C27—C26—H26119.3N4—Ru1—N1175.19 (11)
C25—C26—H26119.3N3—Ru1—N197.72 (10)
C26—C27—C28118.5 (4)N6—Ru1—N196.90 (11)
C26—C27—C30120.4 (4)N2—Ru1—N179.44 (11)
C28—C27—C30121.1 (4)F1—P1—F691.5 (3)
C27—C28—C29120.8 (4)F1—P1—F4176.2 (3)
C27—C28—H28119.6F6—P1—F491.6 (3)
C29—C28—H28119.6F1—P1—F293.4 (2)
C28—C29—C24120.6 (4)F6—P1—F291.34 (18)
C28—C29—H29119.7F4—P1—F288.80 (19)
C24—C29—H29119.7F1—P1—F390.1 (2)
C27—C30—H30A109.5F6—P1—F3178.0 (2)
C27—C30—H30B109.5F4—P1—F386.8 (2)
H30A—C30—H30B109.5F2—P1—F389.92 (19)
C27—C30—H30C109.5F1—P1—F589.5 (2)
H30A—C30—H30C109.5F6—P1—F587.73 (18)
H30B—C30—H30C109.5F4—P1—F588.39 (18)
N3—C31—C32122.5 (4)F2—P1—F5177.0 (2)
N3—C31—H31118.7F3—P1—F590.94 (19)
C32—C31—H31118.7F11—P2—F8179.03 (18)
C31—C32—C33119.3 (4)F11—P2—F990.3 (2)
C31—C32—H32120.3F8—P2—F988.92 (17)
C33—C32—H32120.3F11—P2—F1290.4 (2)
C32—C33—C34118.9 (3)F8—P2—F1290.35 (18)
C32—C33—H33120.5F9—P2—F12179.1 (2)
C34—C33—H33120.5F11—P2—F789.89 (18)
C33—C34—C35119.4 (4)F8—P2—F789.49 (15)
C33—C34—H34120.3F9—P2—F790.55 (19)
C35—C34—H34120.3F12—P2—F789.96 (17)
N3—C35—C34121.3 (3)F11—P2—F1091.93 (18)
N3—C35—C36114.8 (3)F8—P2—F1088.70 (15)
C34—C35—C36123.9 (3)F9—P2—F1090.59 (19)
N4—C36—C37121.1 (3)F12—P2—F1088.88 (17)
N4—C36—C35114.4 (3)F7—P2—F10177.84 (18)
C37—C36—C35124.4 (3)
N1—C1—C2—C30.2 (5)C4—C11—N1—Ru1178.4 (2)
N1—C1—C2—C13179.3 (3)C12—C11—N1—Ru11.9 (3)
C1—C2—C3—C40.4 (4)C9—C10—N2—C121.1 (4)
C13—C2—C3—C4179.1 (3)C9—C10—N2—Ru1179.4 (2)
C2—C3—C4—C110.4 (4)C7—C12—N2—C100.0 (4)
C2—C3—C4—C5179.9 (3)C11—C12—N2—C10177.8 (3)
C11—C4—C5—C60.4 (5)C7—C12—N2—Ru1179.6 (2)
C3—C4—C5—C6179.9 (3)C11—C12—N2—Ru11.8 (3)
C4—C5—C6—C72.0 (5)C32—C31—N3—C352.6 (5)
C5—C6—C7—C122.4 (5)C32—C31—N3—Ru1175.5 (3)
C5—C6—C7—C8178.1 (3)C34—C35—N3—C312.1 (5)
C12—C7—C8—C91.8 (5)C36—C35—N3—C31178.9 (3)
C6—C7—C8—C9178.7 (3)C34—C35—N3—Ru1176.1 (3)
C7—C8—C9—C100.8 (5)C36—C35—N3—Ru12.8 (4)
C7—C8—C9—C22179.6 (3)C39—C40—N4—C361.0 (5)
C8—C9—C10—N20.7 (5)C39—C40—N4—Ru1172.7 (3)
C22—C9—C10—N2178.9 (3)C37—C36—N4—C402.2 (5)
C3—C4—C11—N11.3 (4)C35—C36—N4—C40178.2 (3)
C5—C4—C11—N1179.1 (3)C37—C36—N4—Ru1172.1 (3)
C3—C4—C11—C12178.9 (3)C35—C36—N4—Ru17.6 (4)
C5—C4—C11—C120.6 (4)C42—C41—N5—C450.4 (6)
C8—C7—C12—N21.4 (4)C42—C41—N5—Ru1176.5 (3)
C6—C7—C12—N2179.1 (3)C44—C45—N5—C410.3 (5)
C8—C7—C12—C11179.1 (3)C46—C45—N5—C41178.7 (3)
C6—C7—C12—C111.4 (4)C44—C45—N5—Ru1176.9 (3)
N1—C11—C12—N22.5 (4)C46—C45—N5—Ru14.1 (4)
C4—C11—C12—N2177.8 (3)C49—C50—N6—C461.5 (5)
N1—C11—C12—C7179.7 (3)C49—C50—N6—Ru1177.2 (3)
C4—C11—C12—C70.1 (4)C47—C46—N6—C501.3 (5)
C20—C15—C16—C172.0 (5)C45—C46—N6—C50179.0 (3)
C14—C15—C16—C17176.8 (3)C47—C46—N6—Ru1177.5 (3)
C15—C16—C17—C180.7 (5)C45—C46—N6—Ru12.7 (4)
C16—C17—C18—C190.6 (6)C41—N5—Ru1—N495.6 (3)
C16—C17—C18—C21179.4 (4)C45—N5—Ru1—N487.4 (2)
C17—C18—C19—C200.7 (7)C41—N5—Ru1—N6179.0 (3)
C21—C18—C19—C20179.4 (5)C45—N5—Ru1—N62.0 (2)
C18—C19—C20—C150.6 (7)C41—N5—Ru1—N22.3 (3)
C16—C15—C20—C192.0 (6)C45—N5—Ru1—N2174.7 (2)
C14—C15—C20—C19176.9 (4)C41—N5—Ru1—N181.3 (3)
C29—C24—C25—C260.7 (6)C45—N5—Ru1—N195.6 (2)
C23—C24—C25—C26179.7 (4)C40—N4—Ru1—N52.8 (3)
C24—C25—C26—C271.0 (6)C36—N4—Ru1—N5171.0 (2)
C25—C26—C27—C280.4 (6)C40—N4—Ru1—N3178.5 (3)
C25—C26—C27—C30179.8 (4)C36—N4—Ru1—N34.7 (2)
C26—C27—C28—C290.4 (6)C40—N4—Ru1—N681.3 (3)
C30—C27—C28—C29179.0 (4)C36—N4—Ru1—N692.5 (2)
C27—C28—C29—C240.7 (6)C40—N4—Ru1—N294.2 (3)
C25—C24—C29—C280.1 (6)C36—N4—Ru1—N292.0 (2)
C23—C24—C29—C28179.5 (4)C31—N3—Ru1—N4177.3 (3)
N3—C31—C32—C331.1 (6)C35—N3—Ru1—N40.8 (2)
C31—C32—C33—C340.8 (6)C31—N3—Ru1—N697.3 (3)
C32—C33—C34—C351.2 (6)C35—N3—Ru1—N684.6 (2)
C33—C34—C35—N30.3 (5)C31—N3—Ru1—N279.8 (3)
C33—C34—C35—C36179.1 (3)C35—N3—Ru1—N298.3 (2)
N3—C35—C36—N46.8 (4)C31—N3—Ru1—N10.6 (3)
C34—C35—C36—N4172.1 (3)C35—N3—Ru1—N1177.5 (2)
N3—C35—C36—C37172.8 (3)C50—N6—Ru1—N5176.4 (3)
C34—C35—C36—C378.2 (6)C46—N6—Ru1—N50.5 (2)
N4—C36—C37—C381.7 (6)C50—N6—Ru1—N478.8 (3)
C35—C36—C37—C38178.7 (4)C46—N6—Ru1—N497.1 (2)
C36—C37—C38—C390.0 (6)C50—N6—Ru1—N30.5 (3)
C37—C38—C39—C401.1 (6)C46—N6—Ru1—N3175.4 (2)
C38—C39—C40—N40.7 (6)C50—N6—Ru1—N198.2 (3)
N5—C41—C42—C430.1 (6)C46—N6—Ru1—N186.0 (2)
C41—C42—C43—C440.2 (6)C10—N2—Ru1—N593.2 (3)
C42—C43—C44—C450.2 (6)C12—N2—Ru1—N586.3 (2)
C43—C44—C45—N50.0 (6)C10—N2—Ru1—N44.5 (3)
C43—C44—C45—C46178.9 (4)C12—N2—Ru1—N4176.0 (2)
N5—C45—C46—N64.5 (4)C10—N2—Ru1—N383.0 (3)
C44—C45—C46—N6176.5 (3)C12—N2—Ru1—N397.5 (2)
N5—C45—C46—C47175.8 (3)C10—N2—Ru1—N1178.9 (3)
C44—C45—C46—C473.2 (6)C12—N2—Ru1—N10.61 (19)
N6—C46—C47—C480.2 (6)C1—N1—Ru1—N580.4 (3)
C45—C46—C47—C48179.9 (4)C11—N1—Ru1—N596.1 (2)
C46—C47—C48—C490.8 (6)C1—N1—Ru1—N395.6 (3)
C47—C48—C49—C500.6 (6)C11—N1—Ru1—N387.9 (2)
C48—C49—C50—N60.5 (6)C1—N1—Ru1—N61.9 (3)
C2—C1—N1—C110.7 (4)C11—N1—Ru1—N6174.57 (19)
C2—C1—N1—Ru1177.1 (2)C1—N1—Ru1—N2177.2 (3)
C4—C11—N1—C11.5 (4)C11—N1—Ru1—N20.70 (19)
C12—C11—N1—C1178.8 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1···F40.952.383.070 (6)130
C8—H8···F9i0.952.403.287 (5)154
C10—H10···F7ii0.952.382.996 (5)122
C33—H33···F8iii0.952.533.403 (5)154
C34—H34···F7iii0.952.503.308 (5)142
C39—H39···F8iv0.952.333.229 (5)157
C43—H43···F5ii0.952.493.369 (6)154
C44—H44···F1ii0.952.283.046 (6)137
C47—H47···F2v0.952.363.152 (6)140
C48—H48···F4v0.952.473.343 (6)153
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+1, y, z; (iii) x+1, y+2, z+1; (iv) x+2, y+2, z+1; (v) x+2, y+2, z.
 

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