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In the title compound, [Ru(C4H3N2S)2(C18H15P)2]·CHCl3, the Ru atom has a distorted octahedral environment formed by two S and two N atoms from the pyrimidine-2-thiol­ate ligands and two P atoms from the tri­phenyl­phosphine ligands. Intramolecular π–π interactions between the pyrimidine and phenyl rings of tri­phenyl­phosphine are observed.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805008214/cv6463sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805008214/cv6463Isup2.hkl
Contains datablock I

CCDC reference: 270284

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](C-C) = 0.005 Å
  • Disorder in solvent or counterion
  • R factor = 0.040
  • wR factor = 0.083
  • Data-to-parameter ratio = 18.7

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT431_ALERT_2_B Short Inter HL..A Contact Cl3' .. Cl3' .. 3.09 Ang.
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.92 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C45 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 43.00 Perc. PLAT742_ALERT_1_C Angle Calc 67.28(6), Rep 67.30 ...... Missing su N3 -RU1 -S2 1.555 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C H Cl3
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C45 H37 Cl3 N4 P2 Ru1 S2 Atom count from _chemical_formula_moiety:C1 H1 Cl3
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SHELXTL (Sheldrick, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Bis(pyrimidine-2-thiolato)bis(triphenylphosphine)ruthenium(II) chloroform solvate top
Crystal data top
[Ru(C4H3N2S)2(C18H15P)2]·CHCl3F(000) = 1968
Mr = 967.27Dx = 1.465 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 11.7340 (19) ÅCell parameters from 12257 reflections
b = 10.3824 (17) Åθ = 1–27.5°
c = 36.162 (6) ŵ = 0.75 mm1
β = 95.382 (3)°T = 294 K
V = 4386.1 (12) Å3Prism, yellow
Z = 40.38 × 0.24 × 0.22 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
10086 independent reflections
Radiation source: fine-focus sealed tube6790 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.044
φ and ω scansθmax = 27.6°, θmin = 2.5°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1415
Tmin = 0.765, Tmax = 0.853k = 1313
29059 measured reflectionsl = 4743
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)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.083H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.03P)2]
where P = (Fo2 + 2Fc2)/3
10086 reflections(Δ/σ)max = 0.001
540 parametersΔρmax = 0.58 e Å3
9 restraintsΔρmin = 0.62 e Å3
Special details top

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.

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 > σ(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*/UeqOcc. (<1)
Ru10.650698 (19)0.12698 (2)0.353996 (6)0.02883 (7)
S10.66831 (7)0.09107 (6)0.33029 (2)0.03853 (19)
S20.72586 (7)0.34232 (7)0.36783 (2)0.0420 (2)
P10.48347 (6)0.15768 (6)0.31538 (2)0.03121 (17)
P20.57429 (7)0.09746 (7)0.41056 (2)0.03425 (18)
N10.74155 (18)0.1197 (2)0.30651 (6)0.0315 (5)
N20.7940 (2)0.0596 (2)0.27121 (8)0.0532 (7)
N30.81737 (19)0.1243 (2)0.38143 (6)0.0345 (5)
N40.9454 (2)0.2973 (3)0.39682 (8)0.0540 (7)
C10.7428 (2)0.0086 (3)0.29885 (8)0.0359 (7)
C20.8468 (3)0.0231 (3)0.25016 (10)0.0598 (10)
H2B0.88260.00950.23030.072*
C30.8508 (3)0.1538 (3)0.25637 (9)0.0511 (8)
H3A0.88880.20870.24130.061*
C40.7967 (2)0.1997 (3)0.28558 (8)0.0407 (7)
H4B0.79840.28740.29080.049*
C50.8433 (2)0.2515 (3)0.38359 (8)0.0369 (7)
C61.0217 (3)0.2106 (4)0.40946 (10)0.0621 (10)
H6A1.09280.23970.41960.075*
C71.0025 (3)0.0796 (4)0.40853 (9)0.0541 (9)
H7A1.05860.02130.41750.065*
C80.8968 (3)0.0395 (3)0.39379 (8)0.0437 (8)
H8A0.88030.04810.39240.052*
C90.4364 (2)0.3250 (3)0.30488 (8)0.0335 (7)
C100.4698 (3)0.4254 (3)0.32907 (8)0.0417 (7)
H10A0.51550.40810.35090.050*
C110.4357 (3)0.5505 (3)0.32094 (10)0.0553 (9)
H11A0.45860.61680.33730.066*
C120.3677 (3)0.5772 (3)0.28869 (10)0.0587 (10)
H12A0.34550.66160.28310.070*
C130.3331 (3)0.4798 (3)0.26495 (9)0.0513 (9)
H13A0.28650.49800.24340.062*
C140.3664 (2)0.3549 (3)0.27261 (8)0.0440 (8)
H14A0.34200.28960.25610.053*
C150.3492 (2)0.0782 (3)0.32581 (7)0.0345 (7)
C160.2440 (3)0.1401 (3)0.32337 (8)0.0442 (8)
H16A0.24010.22760.31790.053*
C170.1453 (3)0.0740 (4)0.32894 (10)0.0573 (9)
H17A0.07550.11710.32720.069*
C180.1495 (3)0.0554 (4)0.33703 (10)0.0628 (10)
H18A0.08250.10010.34030.075*
C190.2527 (3)0.1182 (3)0.34028 (9)0.0550 (9)
H19A0.25590.20550.34600.066*
C200.3525 (3)0.0517 (3)0.33501 (8)0.0436 (8)
H20A0.42230.09460.33770.052*
C210.4965 (2)0.0986 (3)0.26757 (8)0.0344 (7)
C220.4600 (3)0.0233 (3)0.25540 (9)0.0431 (8)
H22A0.42470.07760.27130.052*
C230.4758 (3)0.0637 (3)0.22002 (10)0.0553 (9)
H23A0.45030.14500.21220.066*
C240.5286 (3)0.0137 (4)0.19599 (10)0.0644 (10)
H24A0.53850.01440.17210.077*
C250.5665 (3)0.1335 (4)0.20791 (9)0.0616 (10)
H25A0.60300.18680.19200.074*
C260.5507 (3)0.1746 (3)0.24309 (9)0.0462 (8)
H26A0.57700.25570.25070.055*
C270.6889 (3)0.0987 (3)0.44922 (8)0.0393 (7)
C280.7296 (3)0.0098 (3)0.46824 (9)0.0525 (9)
H28A0.69450.08890.46300.063*
C290.8221 (3)0.0022 (4)0.49496 (10)0.0683 (11)
H29A0.84840.07630.50750.082*
C300.8749 (3)0.1126 (4)0.50307 (10)0.0707 (11)
H30A0.93770.11670.52070.085*
C310.8353 (3)0.2214 (4)0.48517 (9)0.0616 (10)
H31A0.87080.30000.49080.074*
C320.7421 (3)0.2156 (3)0.45854 (8)0.0485 (8)
H32A0.71490.29070.44680.058*
C330.4723 (2)0.2103 (3)0.42938 (8)0.0386 (7)
C340.4688 (3)0.2292 (3)0.46719 (9)0.0583 (9)
H34A0.52110.18690.48390.070*
C350.3886 (3)0.3100 (4)0.48024 (10)0.0681 (11)
H35A0.38740.32210.50570.082*
C360.3103 (3)0.3730 (3)0.45605 (10)0.0576 (9)
H36A0.25600.42700.46500.069*
C370.3128 (3)0.3556 (3)0.41881 (10)0.0514 (8)
H37A0.26050.39850.40220.062*
C380.3933 (3)0.2741 (3)0.40563 (9)0.0418 (7)
H38A0.39390.26240.38020.050*
C390.5048 (3)0.0583 (3)0.41785 (8)0.0434 (8)
C400.4000 (3)0.0698 (4)0.43216 (9)0.0605 (10)
H40A0.36060.00350.43850.073*
C410.3540 (4)0.1908 (5)0.43693 (12)0.0943 (16)
H41A0.28360.19820.44660.113*
C420.4101 (5)0.2988 (5)0.42777 (12)0.0981 (18)
H42A0.37770.37940.43100.118*
C430.5139 (4)0.2894 (4)0.41390 (10)0.0782 (13)
H43A0.55320.36340.40810.094*
C440.5609 (3)0.1691 (3)0.40844 (9)0.0543 (9)
H44A0.63070.16280.39840.065*
C450.0728 (3)1.4062 (4)0.58197 (10)0.0780 (13)
H450.07981.49740.58880.094*
Cl10.16200 (13)1.31538 (12)0.61405 (4)0.0827 (5)0.834 (3)
Cl20.0687 (2)1.3589 (4)0.58408 (14)0.1433 (13)0.834 (3)
Cl30.1205 (3)1.3860 (2)0.53789 (5)0.1431 (9)0.834 (3)
Cl1'0.1737 (11)1.3114 (12)0.5769 (5)0.230 (6)0.166 (3)
Cl2'0.0337 (11)1.3200 (19)0.5931 (6)0.149 (8)0.166 (3)
Cl3'0.0278 (11)1.4522 (10)0.5403 (2)0.143 (4)0.166 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.03168 (13)0.02514 (11)0.02908 (12)0.00258 (10)0.00023 (9)0.00045 (10)
S10.0473 (5)0.0272 (4)0.0411 (5)0.0022 (3)0.0039 (4)0.0011 (3)
S20.0466 (5)0.0296 (4)0.0484 (5)0.0040 (3)0.0020 (4)0.0021 (3)
P10.0346 (4)0.0307 (4)0.0278 (4)0.0020 (3)0.0002 (3)0.0007 (3)
P20.0377 (4)0.0352 (4)0.0292 (4)0.0047 (3)0.0001 (3)0.0017 (3)
N10.0323 (13)0.0303 (12)0.0321 (13)0.0020 (11)0.0042 (10)0.0007 (10)
N20.066 (2)0.0398 (15)0.0575 (19)0.0030 (14)0.0251 (15)0.0083 (13)
N30.0312 (13)0.0367 (13)0.0349 (14)0.0041 (12)0.0012 (10)0.0028 (11)
N40.0424 (17)0.0528 (17)0.065 (2)0.0154 (14)0.0056 (14)0.0039 (14)
C10.0359 (17)0.0336 (16)0.0380 (18)0.0017 (13)0.0026 (14)0.0010 (13)
C20.065 (2)0.057 (2)0.062 (2)0.0063 (19)0.0305 (19)0.0075 (18)
C30.054 (2)0.051 (2)0.051 (2)0.0018 (17)0.0218 (17)0.0058 (16)
C40.0441 (19)0.0341 (16)0.044 (2)0.0012 (14)0.0040 (15)0.0027 (14)
C50.0398 (18)0.0376 (17)0.0329 (17)0.0089 (14)0.0017 (13)0.0030 (13)
C60.035 (2)0.083 (3)0.066 (3)0.013 (2)0.0083 (18)0.004 (2)
C70.038 (2)0.070 (2)0.053 (2)0.0072 (18)0.0040 (16)0.0037 (17)
C80.0435 (19)0.0440 (18)0.043 (2)0.0016 (16)0.0028 (15)0.0036 (14)
C90.0347 (16)0.0343 (15)0.0315 (16)0.0040 (13)0.0026 (13)0.0036 (12)
C100.049 (2)0.0390 (17)0.0356 (18)0.0064 (15)0.0028 (14)0.0016 (13)
C110.074 (3)0.0344 (18)0.056 (2)0.0104 (17)0.0016 (19)0.0057 (15)
C120.065 (2)0.044 (2)0.067 (3)0.0189 (18)0.004 (2)0.0116 (18)
C130.049 (2)0.061 (2)0.043 (2)0.0142 (17)0.0024 (16)0.0145 (17)
C140.0439 (18)0.0481 (19)0.0388 (18)0.0038 (15)0.0024 (14)0.0040 (14)
C150.0386 (17)0.0380 (16)0.0262 (16)0.0079 (14)0.0006 (13)0.0035 (12)
C160.0457 (19)0.0479 (19)0.0389 (18)0.0043 (16)0.0040 (14)0.0027 (14)
C170.041 (2)0.074 (3)0.057 (2)0.0034 (19)0.0084 (17)0.0030 (19)
C180.051 (2)0.078 (3)0.061 (2)0.024 (2)0.0161 (19)0.004 (2)
C190.067 (2)0.050 (2)0.049 (2)0.017 (2)0.0084 (17)0.0039 (16)
C200.0424 (19)0.051 (2)0.0373 (19)0.0051 (16)0.0039 (14)0.0022 (14)
C210.0307 (16)0.0419 (17)0.0295 (16)0.0018 (13)0.0031 (12)0.0016 (12)
C220.0422 (19)0.0445 (18)0.0421 (19)0.0033 (15)0.0017 (15)0.0058 (14)
C230.056 (2)0.055 (2)0.054 (2)0.0012 (18)0.0015 (18)0.0222 (18)
C240.071 (3)0.085 (3)0.038 (2)0.014 (2)0.0089 (19)0.0166 (19)
C250.075 (3)0.071 (2)0.041 (2)0.002 (2)0.0174 (18)0.0043 (18)
C260.054 (2)0.0471 (18)0.0381 (19)0.0019 (16)0.0069 (15)0.0014 (14)
C270.0418 (18)0.0501 (19)0.0251 (16)0.0037 (15)0.0008 (13)0.0004 (13)
C280.060 (2)0.055 (2)0.041 (2)0.0027 (18)0.0036 (17)0.0053 (16)
C290.070 (3)0.077 (3)0.054 (2)0.009 (2)0.017 (2)0.009 (2)
C300.054 (2)0.105 (3)0.049 (2)0.003 (2)0.0158 (18)0.003 (2)
C310.061 (2)0.081 (3)0.042 (2)0.023 (2)0.0031 (18)0.0050 (19)
C320.056 (2)0.054 (2)0.0345 (19)0.0083 (17)0.0030 (15)0.0012 (15)
C330.0409 (18)0.0415 (17)0.0335 (18)0.0055 (14)0.0039 (14)0.0001 (13)
C340.067 (2)0.074 (2)0.034 (2)0.013 (2)0.0060 (17)0.0011 (17)
C350.081 (3)0.083 (3)0.042 (2)0.012 (2)0.018 (2)0.0087 (19)
C360.059 (2)0.055 (2)0.062 (2)0.0046 (19)0.0215 (19)0.0069 (19)
C370.053 (2)0.047 (2)0.055 (2)0.0036 (17)0.0062 (17)0.0041 (16)
C380.0466 (19)0.0425 (17)0.0366 (18)0.0012 (15)0.0048 (14)0.0017 (14)
C390.057 (2)0.0435 (18)0.0291 (17)0.0167 (16)0.0022 (15)0.0019 (13)
C400.064 (2)0.067 (2)0.051 (2)0.025 (2)0.0094 (19)0.0025 (18)
C410.112 (4)0.106 (4)0.068 (3)0.073 (3)0.023 (3)0.002 (3)
C420.164 (5)0.067 (3)0.063 (3)0.071 (3)0.010 (3)0.002 (2)
C430.140 (4)0.045 (2)0.047 (2)0.019 (3)0.002 (3)0.0037 (17)
C440.082 (3)0.0420 (19)0.039 (2)0.0138 (18)0.0073 (17)0.0046 (15)
C450.101 (3)0.051 (2)0.079 (3)0.006 (2)0.007 (3)0.006 (2)
Cl10.1070 (11)0.0606 (8)0.0796 (11)0.0110 (7)0.0032 (8)0.0014 (7)
Cl20.0802 (12)0.151 (3)0.193 (3)0.0026 (15)0.0182 (15)0.060 (2)
Cl30.194 (2)0.159 (2)0.0792 (13)0.0079 (17)0.0306 (14)0.0029 (12)
Cl1'0.231 (15)0.172 (12)0.287 (12)0.088 (11)0.031 (15)0.011 (13)
Cl2'0.167 (16)0.119 (11)0.170 (15)0.065 (13)0.066 (14)0.008 (8)
Cl3'0.171 (9)0.132 (9)0.124 (8)0.078 (7)0.004 (8)0.032 (7)
Geometric parameters (Å, º) top
Ru1—N12.106 (2)C20—H20A0.9300
Ru1—N32.109 (2)C21—C261.384 (4)
Ru1—P12.3212 (8)C21—C221.394 (4)
Ru1—P22.3294 (9)C22—C231.376 (4)
Ru1—S12.4366 (7)C22—H22A0.9300
Ru1—S22.4378 (7)C23—C241.373 (5)
S1—C11.725 (3)C23—H23A0.9300
S2—C51.722 (3)C24—C251.377 (5)
P1—C151.848 (3)C24—H24A0.9300
P1—C91.852 (3)C25—C261.371 (4)
P1—C211.854 (3)C25—H25A0.9300
P2—C391.841 (3)C26—H26A0.9300
P2—C271.847 (3)C27—C281.381 (4)
P2—C331.849 (3)C27—C321.391 (4)
N1—C41.332 (3)C28—C291.386 (4)
N1—C11.360 (3)C28—H28A0.9300
N2—C11.324 (4)C29—C301.363 (5)
N2—C21.338 (4)C29—H29A0.9300
N3—C81.329 (3)C30—C311.362 (5)
N3—C51.356 (3)C30—H30A0.9300
N4—C61.321 (4)C31—C321.389 (4)
N4—C51.335 (3)C31—H31A0.9300
C2—C31.376 (4)C32—H32A0.9300
C2—H2B0.9300C33—C381.373 (4)
C3—C41.368 (4)C33—C341.386 (4)
C3—H3A0.9300C34—C351.377 (5)
C4—H4B0.9300C34—H34A0.9300
C6—C71.379 (5)C35—C361.373 (5)
C6—H6A0.9300C35—H35A0.9300
C7—C81.368 (4)C36—C371.362 (4)
C7—H7A0.9300C36—H36A0.9300
C8—H8A0.9300C37—C381.386 (4)
C9—C101.393 (4)C37—H37A0.9300
C9—C141.398 (4)C38—H38A0.9300
C10—C111.382 (4)C39—C441.383 (4)
C10—H10A0.9300C39—C401.383 (4)
C11—C121.378 (4)C40—C411.385 (5)
C11—H11A0.9300C40—H40A0.9300
C12—C131.364 (4)C41—C421.357 (7)
C12—H12A0.9300C41—H41A0.9300
C13—C141.374 (4)C42—C431.364 (6)
C13—H13A0.9300C42—H42A0.9300
C14—H14A0.9300C43—C441.386 (5)
C15—C201.388 (4)C43—H43A0.9300
C15—C161.387 (4)C44—H44A0.9300
C16—C171.377 (4)C45—Cl1'1.564 (8)
C16—H16A0.9300C45—Cl3'1.620 (8)
C17—C181.375 (5)C45—Cl2'1.618 (9)
C17—H17A0.9300C45—Cl21.740 (4)
C18—C191.371 (5)C45—Cl11.762 (4)
C18—H18A0.9300C45—Cl31.751 (4)
C19—C201.387 (4)C45—H450.9800
C19—H19A0.9300
N1—Ru1—N382.25 (9)C19—C18—C17119.8 (3)
N1—Ru1—P188.76 (6)C19—C18—H18A120.1
N3—Ru1—P1168.33 (6)C17—C18—H18A120.1
N1—Ru1—P2167.75 (5)C18—C19—C20120.1 (3)
N3—Ru1—P290.09 (6)C18—C19—H19A120.0
N1—Ru1—S289.96 (5)C20—C19—H19A120.0
N3—Ru1—S267.2995)C15—C20—C19120.8 (3)
S1—Ru1—S2152.05 (3)C15—C20—H20A119.6
P1—Ru1—P299.96 (3)C19—C20—H20A119.6
N1—Ru1—S167.24 (5)C26—C21—C22117.5 (3)
N3—Ru1—S192.76 (5)C26—C21—P1119.4 (2)
P1—Ru1—S190.60 (2)C22—C21—P1123.0 (2)
P2—Ru1—S1103.84 (2)C23—C22—C21120.4 (3)
P1—Ru1—S2105.46 (2)C23—C22—H22A119.8
P2—Ru1—S295.87 (2)C21—C22—H22A119.8
C1—S1—Ru180.53 (10)C24—C23—C22121.2 (3)
C5—S2—Ru180.14 (10)C24—C23—H23A119.4
C15—P1—C9102.54 (13)C22—C23—H23A119.4
C15—P1—C21100.88 (12)C23—C24—C25118.9 (3)
C9—P1—C2199.70 (12)C23—C24—H24A120.6
C15—P1—Ru1120.30 (9)C25—C24—H24A120.6
C9—P1—Ru1118.12 (9)C26—C25—C24120.2 (3)
C21—P1—Ru1112.11 (9)C26—C25—H25A119.9
C39—P2—C27101.45 (13)C24—C25—H25A119.9
C39—P2—C33101.14 (14)C25—C26—C21121.8 (3)
C27—P2—C3399.66 (13)C25—C26—H26A119.1
C39—P2—Ru1116.95 (10)C21—C26—H26A119.1
C27—P2—Ru1110.53 (10)C28—C27—C32117.7 (3)
C33—P2—Ru1123.74 (10)C28—C27—P2124.3 (2)
C4—N1—C1118.7 (2)C32—C27—P2117.9 (2)
C4—N1—Ru1138.7 (2)C27—C28—C29120.8 (3)
C1—N1—Ru1102.54 (17)C27—C28—H28A119.6
C1—N2—C2116.1 (3)C29—C28—H28A119.6
C8—N3—C5118.6 (2)C30—C29—C28120.7 (3)
C8—N3—Ru1139.2 (2)C30—C29—H29A119.7
C5—N3—Ru1101.99 (17)C28—C29—H29A119.7
C6—N4—C5115.9 (3)C31—C30—C29119.7 (3)
N2—C1—N1124.0 (3)C31—C30—H30A120.1
N2—C1—S1126.3 (2)C29—C30—H30A120.1
N1—C1—S1109.6 (2)C30—C31—C32120.3 (3)
N2—C2—C3123.4 (3)C30—C31—H31A119.8
N2—C2—H2B118.3C32—C31—H31A119.8
C3—C2—H2B118.3C31—C32—C27120.8 (3)
C4—C3—C2117.3 (3)C31—C32—H32A119.6
C4—C3—H3A121.4C27—C32—H32A119.6
C2—C3—H3A121.4C38—C33—C34117.9 (3)
N1—C4—C3120.4 (3)C38—C33—P2119.8 (2)
N1—C4—H4B119.8C34—C33—P2122.2 (2)
C3—C4—H4B119.8C35—C34—C33120.6 (3)
N4—C5—N3123.8 (3)C35—C34—H34A119.7
N4—C5—S2125.9 (2)C33—C34—H34A119.7
N3—C5—S2110.2 (2)C36—C35—C34120.6 (3)
N4—C6—C7124.1 (3)C36—C35—H35A119.7
N4—C6—H6A118.0C34—C35—H35A119.7
C7—C6—H6A118.0C37—C36—C35119.5 (3)
C8—C7—C6116.7 (3)C37—C36—H36A120.3
C8—C7—H7A121.6C35—C36—H36A120.3
C6—C7—H7A121.6C36—C37—C38119.9 (3)
N3—C8—C7120.8 (3)C36—C37—H37A120.0
N3—C8—H8A119.6C38—C37—H37A120.0
C7—C8—H8A119.6C33—C38—C37121.4 (3)
C10—C9—C14117.8 (3)C33—C38—H38A119.3
C10—C9—P1120.8 (2)C37—C38—H38A119.3
C14—C9—P1121.3 (2)C44—C39—C40118.7 (3)
C11—C10—C9120.7 (3)C44—C39—P2117.9 (3)
C11—C10—H10A119.6C40—C39—P2123.4 (3)
C9—C10—H10A119.6C39—C40—C41119.7 (4)
C12—C11—C10120.1 (3)C39—C40—H40A120.2
C12—C11—H11A119.9C41—C40—H40A120.2
C10—C11—H11A119.9C42—C41—C40121.1 (4)
C13—C12—C11119.9 (3)C42—C41—H41A119.5
C13—C12—H12A120.1C40—C41—H41A119.5
C11—C12—H12A120.1C41—C42—C43120.0 (4)
C12—C13—C14120.7 (3)C41—C42—H42A120.0
C12—C13—H13A119.6C43—C42—H42A120.0
C14—C13—H13A119.6C42—C43—C44119.8 (4)
C13—C14—C9120.7 (3)C42—C43—H43A120.1
C13—C14—H14A119.6C44—C43—H43A120.1
C9—C14—H14A119.6C39—C44—C43120.6 (4)
C20—C15—C16118.0 (3)C39—C44—H44A119.7
C20—C15—P1118.5 (2)C43—C44—H44A119.7
C16—C15—P1123.4 (2)Cl2—C45—Cl1109.3 (2)
C17—C16—C15121.0 (3)Cl2—C45—Cl3113.2 (3)
C17—C16—H16A119.5Cl1—C45—Cl3108.3 (2)
C15—C16—H16A119.5Cl2—C45—H45108.6
C18—C17—C16120.2 (3)Cl1—C45—H45108.6
C18—C17—H17A119.9Cl3—C45—H45108.6
C16—C17—H17A119.9
N1—Ru1—S1—C10.96 (11)C15—P1—C9—C10110.2 (3)
N3—Ru1—S1—C179.46 (11)C21—P1—C9—C10146.2 (3)
P1—Ru1—S1—C189.36 (10)Ru1—P1—C9—C1024.6 (3)
P2—Ru1—S1—C1170.22 (9)C15—P1—C9—C1469.7 (3)
S2—Ru1—S1—C136.74 (11)C21—P1—C9—C1433.8 (3)
N1—Ru1—S2—C578.24 (12)Ru1—P1—C9—C14155.4 (2)
N3—Ru1—S2—C53.36 (12)C14—C9—C10—C110.9 (5)
P1—Ru1—S2—C5166.95 (10)P1—C9—C10—C11179.2 (3)
P2—Ru1—S2—C590.99 (10)C9—C10—C11—C120.1 (5)
S1—Ru1—S2—C543.92 (12)C10—C11—C12—C130.7 (6)
N1—Ru1—P1—C15140.64 (12)C11—C12—C13—C140.8 (6)
P2—Ru1—P1—C1530.76 (11)C12—C13—C14—C90.0 (5)
S1—Ru1—P1—C1573.40 (11)C10—C9—C14—C130.8 (5)
S2—Ru1—P1—C15129.74 (11)P1—C9—C14—C13179.3 (2)
N1—Ru1—P1—C992.67 (12)C9—P1—C15—C20179.8 (2)
N3—Ru1—P1—C953.1 (3)C21—P1—C15—C2077.2 (2)
P2—Ru1—P1—C995.93 (11)Ru1—P1—C15—C2046.6 (3)
S1—Ru1—P1—C9159.91 (11)C9—P1—C15—C162.7 (3)
S2—Ru1—P1—C93.05 (11)C21—P1—C15—C1699.9 (2)
N1—Ru1—P1—C2122.39 (11)Ru1—P1—C15—C16136.3 (2)
N3—Ru1—P1—C2161.9 (3)C20—C15—C16—C171.7 (4)
P2—Ru1—P1—C21149.01 (10)P1—C15—C16—C17175.4 (2)
S1—Ru1—P1—C2144.85 (10)C15—C16—C17—C180.1 (5)
S2—Ru1—P1—C21112.01 (10)C16—C17—C18—C191.3 (5)
N1—Ru1—P2—C3960.4 (3)C17—C18—C19—C200.7 (5)
N3—Ru1—P2—C39111.31 (13)C16—C15—C20—C192.3 (4)
P1—Ru1—P2—C3974.66 (12)P1—C15—C20—C19175.0 (2)
S1—Ru1—P2—C3918.46 (12)C18—C19—C20—C151.1 (5)
S2—Ru1—P2—C39178.47 (12)C15—P1—C21—C26150.4 (2)
N1—Ru1—P2—C2755.0 (3)C9—P1—C21—C2645.4 (3)
N3—Ru1—P2—C274.05 (12)Ru1—P1—C21—C2680.4 (2)
P1—Ru1—P2—C27169.98 (10)C15—P1—C21—C2233.5 (3)
S1—Ru1—P2—C2796.90 (10)C9—P1—C21—C22138.4 (2)
S2—Ru1—P2—C2763.11 (10)Ru1—P1—C21—C2295.7 (2)
N1—Ru1—P2—C33172.7 (3)C26—C21—C22—C231.3 (4)
N3—Ru1—P2—C33121.80 (13)P1—C21—C22—C23177.5 (2)
P1—Ru1—P2—C3352.23 (11)C21—C22—C23—C240.6 (5)
S1—Ru1—P2—C33145.35 (11)C22—C23—C24—C250.3 (5)
S2—Ru1—P2—C3354.64 (11)C23—C24—C25—C260.6 (5)
N3—Ru1—N1—C481.1 (3)C24—C25—C26—C210.2 (5)
P1—Ru1—N1—C491.5 (3)C22—C21—C26—C251.1 (4)
P2—Ru1—N1—C4132.6 (3)P1—C21—C26—C25177.5 (3)
S1—Ru1—N1—C4177.3 (3)C39—P2—C27—C2819.5 (3)
S2—Ru1—N1—C414.0 (3)C33—P2—C27—C28123.1 (3)
N3—Ru1—N1—C195.06 (17)Ru1—P2—C27—C28105.2 (3)
P1—Ru1—N1—C192.41 (16)C39—P2—C27—C32164.1 (3)
P2—Ru1—N1—C143.5 (4)C33—P2—C27—C3260.5 (3)
S1—Ru1—N1—C11.23 (15)Ru1—P2—C27—C3271.2 (3)
S2—Ru1—N1—C1162.12 (16)C32—C27—C28—C291.6 (5)
N1—Ru1—N3—C886.4 (3)P2—C27—C28—C29174.8 (3)
P1—Ru1—N3—C8126.4 (3)C27—C28—C29—C300.0 (6)
P2—Ru1—N3—C884.0 (3)C28—C29—C30—C311.1 (6)
S1—Ru1—N3—C819.8 (3)C29—C30—C31—C320.5 (6)
S2—Ru1—N3—C8179.7 (3)C30—C31—C32—C271.2 (5)
N1—Ru1—N3—C588.93 (18)C28—C27—C32—C312.2 (5)
P1—Ru1—N3—C549.0 (4)P2—C27—C32—C31174.5 (3)
P2—Ru1—N3—C5100.62 (17)C39—P2—C33—C3899.2 (2)
S1—Ru1—N3—C5155.53 (17)C27—P2—C33—C38157.0 (2)
S2—Ru1—N3—C54.30 (15)Ru1—P2—C33—C3834.2 (3)
C2—N2—C1—N10.0 (5)C39—P2—C33—C3477.9 (3)
C2—N2—C1—S1179.9 (2)C27—P2—C33—C3425.9 (3)
C4—N1—C1—N21.3 (4)Ru1—P2—C33—C34148.7 (2)
Ru1—N1—C1—N2178.4 (2)C38—C33—C34—C350.2 (5)
C4—N1—C1—S1178.8 (2)P2—C33—C34—C35177.3 (3)
Ru1—N1—C1—S11.7 (2)C33—C34—C35—C360.2 (6)
Ru1—S1—C1—N2178.6 (3)C34—C35—C36—C370.4 (6)
Ru1—S1—C1—N11.45 (17)C35—C36—C37—C380.5 (5)
C1—N2—C2—C30.9 (5)C34—C33—C38—C370.4 (4)
N2—C2—C3—C40.5 (5)P2—C33—C38—C37177.6 (2)
C1—N1—C4—C31.7 (4)C36—C37—C38—C330.5 (5)
Ru1—N1—C4—C3177.4 (2)C27—P2—C39—C4474.6 (3)
C2—C3—C4—N10.8 (5)C33—P2—C39—C44176.9 (2)
C6—N4—C5—N32.5 (5)Ru1—P2—C39—C4445.7 (3)
C6—N4—C5—S2176.2 (3)C27—P2—C39—C40105.5 (3)
C8—N3—C5—N41.4 (4)C33—P2—C39—C403.1 (3)
Ru1—N3—C5—N4175.2 (3)Ru1—P2—C39—C40134.2 (3)
C8—N3—C5—S2177.5 (2)C44—C39—C40—C410.3 (5)
Ru1—N3—C5—S26.0 (2)P2—C39—C40—C41179.7 (3)
Ru1—S2—C5—N4176.1 (3)C39—C40—C41—C420.0 (6)
Ru1—S2—C5—N35.14 (18)C40—C41—C42—C430.5 (7)
C5—N4—C6—C72.1 (5)C41—C42—C43—C441.4 (7)
N4—C6—C7—C80.7 (6)C40—C39—C44—C431.2 (5)
C5—N3—C8—C70.2 (4)P2—C39—C44—C43178.8 (3)
Ru1—N3—C8—C7175.1 (2)C42—C43—C44—C391.7 (6)
C6—C7—C8—N30.6 (5)
 

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