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The reaction of 2,3,5,6-tetra-2-pyridylpyrazine (tppz) with dichloro­tetra­kis(dimethyl sulfoxide)ruthenium(II) in dimethyl sulfoxide (DMSO) yielded the title centrosymmetric dinuclear complex, [Ru2Cl4(C24H16N6)(C3H6OS)2]·2C2H6OS·2H2O or cis,cis-[{Ru(DMSO)Cl2}2(μ-tppz)]·2Me2CO·2H2O. Each ruthenium ion is in a distorted octa­hedral coordination in which the chloro ligands are cis to each other and DMSO is coordinated through sulfur. The asymmetric unit contains half of two independent mol­ecules.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806028959/cf2045sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806028959/cf2045Isup2.hkl
Contains datablock I

CCDC reference: 618149

Key indicators

  • Single-crystal X-ray study
  • T = 120 K
  • Mean [sigma](C-C) = 0.009 Å
  • Some non-H atoms missing
  • R factor = 0.066
  • wR factor = 0.176
  • Data-to-parameter ratio = 21.3

checkCIF/PLATON results

No syntax errors found



Alert level A CHEMW03_ALERT_2_A ALERT: The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.90 <> 1.10 From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_weight 1040.81 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 28.00 336.31 H 1.01 28.00 28.22 N 14.01 6.00 84.04 O 16.00 2.00 32.00 S 32.07 2.00 64.13 Cl 35.45 4.00 141.81 Ru 101.07 2.00 202.14 Calculated formula weight 888.66
Author Response: See _platon_squeeze_details and _publ_section_exptl_refinement
PLAT043_ALERT_1_A Check Reported Molecular Weight ................    1040.81
Author Response: See _platon_squeeze_details and _publ_section_exptl_refinement
PLAT044_ALERT_1_A Calculated and Reported Dx Differ ..............          ?
Author Response: See _platon_squeeze_details and _publ_section_exptl_refinement

Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT213_ALERT_2_C Atom C17 has ADP max/min Ratio ............. 3.50 prola PLAT213_ALERT_2_C Atom C22 has ADP max/min Ratio ............. 3.10 prola PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.08 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.31 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT602_ALERT_4_C VERY LARGE Solvent Accessible VOID(S) in Structure ! PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 5 CL1 -RU1 -S1 -O1 -169.10 1.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 10 CL1 -RU1 -S1 -C14 67.90 1.20 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 15 CL1 -RU1 -S1 -C13 -45.10 1.20 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 20 CL3 -RU2 -S2 -O2 -177.10 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 25 CL3 -RU2 -S2 -C28 58.30 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 30 CL3 -RU2 -S2 -C27 -54.10 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 54 CL2 -RU1 -N3 -C12 88.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 59 CL2 -RU1 -N3 -C6 -81.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 84 CL4 -RU2 -N6 -C20 -100.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 89 CL4 -RU2 -N6 -C26 73.00 3.00 1.555 1.555 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C28 H28 Cl4 N6 O2 Ru2 S2 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C28 H28 Cl4 N6 O2 Ru2 S2
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C34 H44 Cl4 N6 O6 Ru2 S2 Atom count from the _atom_site data: C28 H28 Cl4 N6 O2 Ru2 S2 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: Large difference may be due to a symmetry error - see SYMMG tests From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum C34 H44 Cl4 N6 O6 Ru2 S2 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 68.00 56.00 12.00 H 88.00 56.00 32.00 Cl 8.00 8.00 0.00 N 12.00 12.00 0.00 O 12.00 4.00 8.00 Ru 4.00 4.00 0.00 S 4.00 4.00 0.00
3 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 20 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 13 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2001); software used to prepare material for publication: SHELXTL.

cis,cis-µ-2,3,5,6-Tetra-2-pyridylpyrazine- κ3N1,N2,N6:κ3N3,N4,N5-bis[dichloro(dimethyl sulfoxide-κS)ruthenium(II)] dihydrate acetone disolvate top
Crystal data top
[Ru2Cl4(C24H16N6)(C2H6OS)2]·2C3H6OS·2H2OZ = 2
Mr = 1040.81F(000) = 1052
Triclinic, P1Dx = 1.795 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.994 (6) ÅCell parameters from 1020 reflections
b = 12.477 (7) Åθ = 2.5–28.0°
c = 13.345 (7) ŵ = 1.22 mm1
α = 77.227 (7)°T = 120 K
β = 81.505 (7)°Plate, red
γ = 89.837 (7)°0.18 × 0.15 × 0.04 mm
V = 1925.3 (18) Å3
Data collection top
Bruker APEX
diffractometer
8537 independent reflections
Radiation source: fine-focus sealed tube7702 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.035
Detector resolution: 836.6 pixels mm-1θmax = 28.2°, θmin = 1.6°
ω scansh = 1515
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
k = 1616
Tmin = 0.751, Tmax = 0.953l = 1717
20958 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)] = 0.066Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.176H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.088P)2 + 20.0195P]
where P = (Fo2 + 2Fc2)/3
8537 reflections(Δ/σ)max = 0.001
401 parametersΔρmax = 0.20 e Å3
0 restraintsΔρmin = 1.29 e Å3
Special details top

Experimental. Data collection is performed with four batch runs at φ = 0.00 ° (600 frames), at φ = 90.00 ° (600 frames), at φ = 180 ° (600 frames) and at φ = 270 ° (600 frames). Frame width = 0.30 \& in ω. Data is merged, corrected for decay, and treated with multi-scan absorption corrections.

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*/Ueq
Ru10.59454 (4)0.01987 (4)0.78720 (3)0.01223 (13)
Ru21.08860 (4)0.62116 (4)0.78283 (4)0.01343 (13)
S10.41433 (11)0.02213 (12)0.71503 (11)0.0161 (3)
S20.90944 (11)0.61492 (12)0.70696 (12)0.0164 (3)
Cl10.79034 (11)0.06802 (12)0.85791 (12)0.0192 (3)
Cl20.63515 (13)0.02856 (14)0.61748 (11)0.0231 (3)
Cl31.28476 (11)0.63445 (12)0.85428 (12)0.0204 (3)
Cl41.13214 (13)0.71194 (13)0.61383 (12)0.0243 (3)
N10.5661 (4)0.1839 (4)0.8454 (4)0.0158 (9)
N20.6320 (4)0.1415 (4)0.7895 (4)0.0150 (9)
N30.5520 (4)0.0111 (4)0.9203 (4)0.0117 (9)
N41.1245 (4)0.4596 (4)0.7834 (4)0.0183 (10)
N51.0626 (4)0.7571 (4)0.8414 (4)0.0159 (9)
N61.0470 (4)0.5493 (4)0.9165 (4)0.0131 (9)
O10.3387 (4)0.0485 (4)0.7850 (4)0.0262 (10)
O20.8307 (4)0.5517 (4)0.7723 (4)0.0263 (10)
C10.6069 (5)0.2687 (5)0.8123 (5)0.0193 (12)
H1A0.62680.25520.74440.023*
C20.6205 (5)0.3727 (5)0.8725 (6)0.0229 (13)
H2A0.64790.43070.84620.027*
C30.5939 (5)0.3931 (5)0.9728 (5)0.0212 (12)
H3A0.60380.46491.01620.025*
C40.5527 (5)0.3073 (5)1.0084 (5)0.0159 (11)
H4A0.53460.31931.07690.019*
C50.5379 (4)0.2025 (5)0.9422 (4)0.0142 (11)
C60.5080 (4)0.1024 (4)0.9764 (4)0.0114 (10)
C70.6933 (6)0.2082 (5)0.7258 (5)0.0238 (13)
H7A0.70590.18880.66330.029*
C80.7385 (6)0.3042 (6)0.7484 (6)0.0275 (14)
H8A0.77660.35240.70000.033*
C90.7271 (5)0.3283 (5)0.8426 (5)0.0201 (12)
H9A0.76230.39030.86240.024*
C100.6635 (5)0.2603 (4)0.9078 (5)0.0161 (11)
H10A0.65390.27580.97270.019*
C110.6139 (4)0.1696 (4)0.8777 (4)0.0134 (10)
C120.5501 (5)0.0892 (4)0.9450 (5)0.0139 (10)
C130.3506 (5)0.0836 (5)0.6573 (5)0.0237 (13)
H13A0.27420.05930.62240.036*
H13B0.39580.09930.60650.036*
H13C0.34670.15040.71140.036*
C140.4020 (6)0.1348 (6)0.6051 (5)0.0262 (14)
H14A0.32220.15060.57670.039*
H14B0.43520.19970.62630.039*
H14C0.44190.11600.55200.039*
C151.1845 (5)0.4230 (6)0.7192 (5)0.0238 (13)
H15A1.19520.47170.65600.029*
C161.2313 (6)0.3175 (6)0.7416 (6)0.0279 (14)
H16A1.26910.29310.69260.033*
C171.2222 (5)0.2477 (5)0.8365 (6)0.0223 (13)
H17A1.25770.17670.85540.027*
C181.1600 (5)0.2838 (5)0.9035 (5)0.0174 (11)
H18A1.15190.23720.96860.021*
C191.1097 (5)0.3890 (5)0.8744 (5)0.0150 (11)
C201.0465 (5)0.4375 (4)0.9417 (4)0.0135 (10)
C211.0977 (6)0.8581 (5)0.8060 (6)0.0274 (14)
H21A1.11160.87790.73610.033*
C221.1145 (5)0.9350 (5)0.8664 (6)0.0224 (13)
H22A1.14141.00550.83900.027*
C231.0920 (5)0.9084 (5)0.9657 (5)0.0217 (13)
H23A1.10360.96001.00880.026*
C241.0522 (5)0.8054 (5)1.0035 (5)0.0183 (11)
H24A1.03650.78561.07280.022*
C251.0352 (4)0.7310 (4)0.9394 (5)0.0147 (11)
C261.0070 (4)0.6143 (4)0.9742 (4)0.0136 (10)
C270.8994 (6)0.5606 (6)0.5930 (6)0.0299 (15)
H27B0.82000.55120.56730.045*
H27C0.93290.61150.53930.045*
H27D0.93990.48930.60970.045*
C280.8467 (5)0.7484 (6)0.6529 (6)0.0261 (14)
H28B0.77140.74160.61520.039*
H28C0.84060.78640.70880.039*
H28D0.89370.79050.60490.039*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.0092 (2)0.0130 (2)0.0160 (2)0.00182 (15)0.00278 (16)0.00568 (16)
Ru20.0095 (2)0.0120 (2)0.0195 (2)0.00138 (15)0.00347 (16)0.00396 (16)
S10.0105 (6)0.0185 (7)0.0202 (7)0.0009 (5)0.0016 (5)0.0068 (5)
S20.0103 (6)0.0158 (7)0.0234 (7)0.0033 (5)0.0030 (5)0.0046 (5)
Cl10.0110 (6)0.0201 (7)0.0267 (7)0.0006 (5)0.0003 (5)0.0082 (5)
Cl20.0196 (7)0.0334 (8)0.0186 (7)0.0009 (6)0.0047 (5)0.0093 (6)
Cl30.0112 (6)0.0200 (7)0.0291 (8)0.0005 (5)0.0011 (5)0.0060 (6)
Cl40.0176 (7)0.0305 (8)0.0235 (7)0.0065 (6)0.0064 (5)0.0014 (6)
N10.012 (2)0.012 (2)0.025 (3)0.0023 (17)0.0024 (18)0.0080 (19)
N20.009 (2)0.014 (2)0.021 (2)0.0017 (17)0.0004 (18)0.0023 (18)
N30.007 (2)0.010 (2)0.018 (2)0.0016 (16)0.0013 (16)0.0034 (17)
N40.018 (2)0.016 (2)0.025 (3)0.0013 (19)0.006 (2)0.012 (2)
N50.011 (2)0.014 (2)0.023 (2)0.0010 (18)0.0037 (18)0.0032 (19)
N60.012 (2)0.009 (2)0.019 (2)0.0006 (17)0.0008 (17)0.0050 (17)
O10.017 (2)0.032 (3)0.037 (3)0.0004 (18)0.0113 (19)0.018 (2)
O20.016 (2)0.025 (2)0.038 (3)0.0061 (18)0.0083 (19)0.003 (2)
C10.011 (3)0.027 (3)0.022 (3)0.002 (2)0.000 (2)0.012 (2)
C20.013 (3)0.018 (3)0.044 (4)0.000 (2)0.002 (2)0.020 (3)
C30.010 (3)0.012 (3)0.040 (4)0.001 (2)0.002 (2)0.005 (2)
C40.011 (2)0.013 (3)0.023 (3)0.000 (2)0.001 (2)0.003 (2)
C50.009 (2)0.014 (3)0.021 (3)0.0008 (19)0.001 (2)0.010 (2)
C60.009 (2)0.007 (2)0.018 (3)0.0017 (18)0.0004 (19)0.0033 (19)
C70.023 (3)0.023 (3)0.026 (3)0.004 (2)0.010 (3)0.002 (2)
C80.021 (3)0.022 (3)0.039 (4)0.008 (3)0.016 (3)0.001 (3)
C90.008 (2)0.013 (3)0.036 (3)0.005 (2)0.002 (2)0.001 (2)
C100.017 (3)0.009 (2)0.024 (3)0.001 (2)0.006 (2)0.005 (2)
C110.007 (2)0.011 (2)0.019 (3)0.0009 (19)0.0001 (19)0.001 (2)
C120.013 (2)0.008 (2)0.021 (3)0.0040 (19)0.003 (2)0.005 (2)
C130.015 (3)0.025 (3)0.031 (3)0.005 (2)0.000 (2)0.011 (3)
C140.020 (3)0.028 (3)0.025 (3)0.004 (3)0.000 (2)0.003 (3)
C150.017 (3)0.027 (3)0.033 (3)0.002 (2)0.010 (3)0.016 (3)
C160.020 (3)0.028 (3)0.043 (4)0.004 (3)0.011 (3)0.018 (3)
C170.015 (3)0.010 (3)0.047 (4)0.000 (2)0.008 (3)0.016 (3)
C180.011 (3)0.011 (3)0.030 (3)0.001 (2)0.001 (2)0.007 (2)
C190.012 (2)0.011 (2)0.024 (3)0.003 (2)0.001 (2)0.009 (2)
C200.011 (2)0.010 (2)0.021 (3)0.0019 (19)0.002 (2)0.006 (2)
C210.025 (3)0.014 (3)0.045 (4)0.002 (2)0.016 (3)0.004 (3)
C220.008 (3)0.015 (3)0.043 (4)0.006 (2)0.006 (2)0.005 (3)
C230.015 (3)0.011 (3)0.041 (4)0.002 (2)0.004 (2)0.011 (2)
C240.013 (3)0.017 (3)0.026 (3)0.001 (2)0.002 (2)0.010 (2)
C250.009 (2)0.009 (2)0.025 (3)0.0030 (19)0.000 (2)0.005 (2)
C260.008 (2)0.011 (2)0.022 (3)0.0037 (19)0.003 (2)0.006 (2)
C270.018 (3)0.040 (4)0.034 (4)0.009 (3)0.001 (3)0.017 (3)
C280.016 (3)0.025 (3)0.034 (4)0.001 (2)0.003 (3)0.000 (3)
Geometric parameters (Å, º) top
Ru1—N31.944 (5)C7—H7A0.950
Ru1—N22.068 (5)C8—C91.381 (10)
Ru1—N12.068 (5)C8—H8A0.950
Ru1—S12.2454 (18)C9—C101.388 (8)
Ru1—Cl22.4112 (19)C9—H9A0.950
Ru1—Cl12.4226 (18)C10—C111.386 (8)
Ru2—N61.946 (5)C10—H10A0.950
Ru2—N42.061 (5)C11—C121.483 (7)
Ru2—N52.061 (5)C12—C6i1.381 (8)
Ru2—S22.2450 (18)C13—H13A0.980
Ru2—Cl42.4201 (19)C13—H13B0.980
Ru2—Cl32.4242 (18)C13—H13C0.980
S1—O11.481 (4)C14—H14A0.980
S1—C141.782 (7)C14—H14B0.980
S1—C131.786 (6)C14—H14C0.980
S2—O21.487 (5)C15—C161.385 (9)
S2—C281.782 (7)C15—H15A0.950
S2—C271.786 (7)C16—C171.388 (10)
N1—C11.352 (8)C16—H16A0.950
N1—C51.354 (8)C17—C181.390 (8)
N2—C111.347 (8)C17—H17A0.950
N2—C71.351 (8)C18—C191.396 (8)
N3—C121.364 (7)C18—H18A0.950
N3—C61.369 (7)C19—C201.482 (8)
N4—C151.348 (8)C20—C26ii1.406 (8)
N4—C191.368 (8)C21—C221.380 (10)
N5—C211.334 (8)C21—H21A0.950
N5—C251.364 (8)C22—C231.361 (10)
N6—C201.360 (7)C22—H22A0.950
N6—C261.368 (7)C23—C241.384 (8)
C1—C21.364 (9)C23—H23A0.950
C1—H1A0.950C24—C251.390 (8)
C2—C31.391 (10)C24—H24A0.950
C2—H2A0.950C25—C261.482 (7)
C3—C41.383 (8)C26—C20ii1.406 (8)
C3—H3A0.950C27—H27B0.980
C4—C51.403 (8)C27—H27C0.980
C4—H4A0.950C27—H27D0.980
C5—C61.483 (7)C28—H28B0.980
C6—C12i1.381 (8)C28—H28C0.980
C7—C81.388 (10)C28—H28D0.980
N3—Ru1—N279.62 (19)N2—C7—C8122.3 (6)
N3—Ru1—N180.12 (19)N2—C7—H7A118.9
N2—Ru1—N1157.9 (2)C8—C7—H7A118.9
N3—Ru1—S188.33 (14)C9—C8—C7118.8 (6)
N2—Ru1—S193.51 (14)C9—C8—H8A120.6
N1—Ru1—S194.57 (14)C7—C8—H8A120.6
N3—Ru1—Cl2176.45 (14)C8—C9—C10118.9 (6)
N2—Ru1—Cl2100.79 (14)C8—C9—H9A120.6
N1—Ru1—Cl299.98 (15)C10—C9—H9A120.6
S1—Ru1—Cl288.13 (6)C11—C10—C9119.6 (6)
N3—Ru1—Cl194.23 (14)C11—C10—H10A120.2
N2—Ru1—Cl187.67 (13)C9—C10—H10A120.2
N1—Ru1—Cl185.17 (14)N2—C11—C10121.5 (5)
S1—Ru1—Cl1177.34 (5)N2—C11—C12114.9 (5)
Cl2—Ru1—Cl189.32 (6)C10—C11—C12123.1 (5)
N6—Ru2—N480.0 (2)N3—C12—C6i118.9 (5)
N6—Ru2—N580.19 (19)N3—C12—C11111.0 (5)
N4—Ru2—N5158.3 (2)C6i—C12—C11130.1 (5)
N6—Ru2—S290.11 (14)S1—C13—H13A109.5
N4—Ru2—S293.33 (15)S1—C13—H13B109.5
N5—Ru2—S295.40 (14)H13A—C13—H13B109.5
N6—Ru2—Cl4177.64 (14)S1—C13—H13C109.5
N4—Ru2—Cl4100.68 (15)H13A—C13—H13C109.5
N5—Ru2—Cl499.47 (15)H13B—C13—H13C109.5
S2—Ru2—Cl487.60 (6)S1—C14—H14A109.5
N6—Ru2—Cl393.50 (14)S1—C14—H14B109.5
N4—Ru2—Cl387.59 (15)H14A—C14—H14B109.5
N5—Ru2—Cl384.93 (14)S1—C14—H14C109.5
S2—Ru2—Cl3176.37 (6)H14A—C14—H14C109.5
Cl4—Ru2—Cl388.78 (6)H14B—C14—H14C109.5
O1—S1—C14106.8 (3)N4—C15—C16122.8 (6)
O1—S1—C13107.4 (3)N4—C15—H15A118.6
C14—S1—C13100.9 (3)C16—C15—H15A118.6
O1—S1—Ru1115.8 (2)C15—C16—C17119.2 (6)
C14—S1—Ru1112.3 (2)C15—C16—H16A120.4
C13—S1—Ru1112.5 (2)C17—C16—H16A120.4
O2—S2—C28107.3 (3)C16—C17—C18118.8 (6)
O2—S2—C27106.3 (3)C16—C17—H17A120.6
C28—S2—C27100.4 (4)C18—C17—H17A120.6
O2—S2—Ru2116.7 (2)C17—C18—C19119.4 (6)
C28—S2—Ru2112.4 (2)C17—C18—H18A120.3
C27—S2—Ru2112.3 (2)C19—C18—H18A120.3
C1—N1—C5118.9 (5)N4—C19—C18121.5 (5)
C1—N1—Ru1124.8 (4)N4—C19—C20114.4 (5)
C5—N1—Ru1112.5 (4)C18—C19—C20123.9 (5)
C11—N2—C7118.7 (5)N6—C20—C26ii118.8 (5)
C11—N2—Ru1113.2 (4)N6—C20—C19111.3 (5)
C7—N2—Ru1126.3 (4)C26ii—C20—C19129.9 (5)
C12—N3—C6122.8 (5)N5—C21—C22122.9 (7)
C12—N3—Ru1118.5 (4)N5—C21—H21A118.6
C6—N3—Ru1117.8 (4)C22—C21—H21A118.6
C15—N4—C19118.2 (5)C23—C22—C21119.0 (6)
C15—N4—Ru2126.8 (4)C23—C22—H22A120.5
C19—N4—Ru2112.7 (4)C21—C22—H22A120.5
C21—N5—C25118.6 (5)C22—C23—C24119.3 (6)
C21—N5—Ru2125.7 (4)C22—C23—H23A120.3
C25—N5—Ru2113.2 (4)C24—C23—H23A120.3
C20—N6—C26123.4 (5)C23—C24—C25119.6 (6)
C20—N6—Ru2118.5 (4)C23—C24—H24A120.2
C26—N6—Ru2117.7 (4)C25—C24—H24A120.2
N1—C1—C2122.6 (6)N5—C25—C24120.4 (5)
N1—C1—H1A118.7N5—C25—C26114.1 (5)
C2—C1—H1A118.7C24—C25—C26124.7 (6)
C1—C2—C3119.3 (6)N6—C26—C20ii117.6 (5)
C1—C2—H2A120.4N6—C26—C25111.9 (5)
C3—C2—H2A120.4C20ii—C26—C25130.4 (5)
C4—C3—C2119.0 (6)S2—C27—H27B109.5
C4—C3—H3A120.5S2—C27—H27C109.5
C2—C3—H3A120.5H27B—C27—H27C109.5
C3—C4—C5119.2 (6)S2—C27—H27D109.5
C3—C4—H4A120.4H27B—C27—H27D109.5
C5—C4—H4A120.4H27C—C27—H27D109.5
N1—C5—C4120.9 (5)S2—C28—H28B109.5
N1—C5—C6114.9 (5)S2—C28—H28C109.5
C4—C5—C6123.5 (5)H28B—C28—H28C109.5
N3—C6—C12i118.0 (5)S2—C28—H28D109.5
N3—C6—C5110.9 (5)H28B—C28—H28D109.5
C12i—C6—C5131.1 (5)H28C—C28—H28D109.5
N3—Ru1—S1—O14.9 (3)Cl4—Ru2—N6—C20100 (3)
N2—Ru1—S1—O174.6 (3)Cl3—Ru2—N6—C2094.3 (4)
N1—Ru1—S1—O184.9 (3)N4—Ru2—N6—C26179.7 (4)
Cl2—Ru1—S1—O1175.3 (2)N5—Ru2—N6—C269.1 (4)
Cl1—Ru1—S1—O1169.1 (11)S2—Ru2—N6—C2686.3 (4)
N3—Ru1—S1—C14127.9 (3)Cl4—Ru2—N6—C2673 (3)
N2—Ru1—S1—C1448.4 (3)Cl3—Ru2—N6—C2693.4 (4)
N1—Ru1—S1—C14152.2 (3)C5—N1—C1—C20.2 (8)
Cl2—Ru1—S1—C1452.3 (3)Ru1—N1—C1—C2156.8 (5)
Cl1—Ru1—S1—C1467.9 (12)N1—C1—C2—C31.3 (9)
N3—Ru1—S1—C13119.0 (3)C1—C2—C3—C40.9 (9)
N2—Ru1—S1—C13161.5 (3)C2—C3—C4—C50.6 (8)
N1—Ru1—S1—C1339.1 (3)C1—N1—C5—C41.3 (8)
Cl2—Ru1—S1—C1360.8 (3)Ru1—N1—C5—C4158.0 (4)
Cl1—Ru1—S1—C1345.1 (12)C1—N1—C5—C6172.6 (5)
N6—Ru2—S2—O27.5 (3)Ru1—N1—C5—C613.3 (6)
N4—Ru2—S2—O272.5 (3)C3—C4—C5—N11.7 (8)
N5—Ru2—S2—O287.6 (3)C3—C4—C5—C6172.2 (5)
Cl4—Ru2—S2—O2173.1 (2)C12—N3—C6—C12i6.4 (9)
Cl3—Ru2—S2—O2177.1 (8)Ru1—N3—C6—C12i162.7 (4)
N6—Ru2—S2—C28117.1 (3)C12—N3—C6—C5170.9 (5)
N4—Ru2—S2—C28162.9 (3)Ru1—N3—C6—C520.0 (6)
N5—Ru2—S2—C2836.9 (3)N1—C5—C6—N321.5 (7)
Cl4—Ru2—S2—C2862.4 (3)C4—C5—C6—N3149.6 (5)
Cl3—Ru2—S2—C2858.3 (9)N1—C5—C6—C12i161.7 (6)
N6—Ru2—S2—C27130.6 (3)C4—C5—C6—C12i27.3 (9)
N4—Ru2—S2—C2750.6 (3)C11—N2—C7—C80.3 (9)
N5—Ru2—S2—C27149.3 (3)Ru1—N2—C7—C8163.2 (5)
Cl4—Ru2—S2—C2750.0 (3)N2—C7—C8—C94.6 (10)
Cl3—Ru2—S2—C2754.1 (9)C7—C8—C9—C104.9 (10)
N3—Ru1—N1—C1159.9 (5)C8—C9—C10—C110.6 (9)
N2—Ru1—N1—C1136.3 (5)C7—N2—C11—C104.8 (8)
S1—Ru1—N1—C1112.6 (5)Ru1—N2—C11—C10160.7 (4)
Cl2—Ru1—N1—C123.7 (5)C7—N2—C11—C12177.4 (5)
Cl1—Ru1—N1—C164.8 (5)Ru1—N2—C11—C1211.9 (6)
N3—Ru1—N1—C52.1 (4)C9—C10—C11—N24.4 (9)
N2—Ru1—N1—C521.5 (7)C9—C10—C11—C12176.4 (5)
S1—Ru1—N1—C589.6 (4)C6—N3—C12—C6i6.4 (9)
Cl2—Ru1—N1—C5178.5 (4)Ru1—N3—C12—C6i162.5 (4)
Cl1—Ru1—N1—C593.0 (4)C6—N3—C12—C11174.2 (5)
N3—Ru1—N2—C112.3 (4)Ru1—N3—C12—C1116.9 (6)
N1—Ru1—N2—C1121.3 (7)N2—C11—C12—N318.4 (7)
S1—Ru1—N2—C1190.0 (4)C10—C11—C12—N3154.0 (5)
Cl2—Ru1—N2—C11178.7 (3)N2—C11—C12—C6i160.9 (6)
Cl1—Ru1—N2—C1192.4 (4)C10—C11—C12—C6i26.7 (9)
N3—Ru1—N2—C7166.6 (5)C19—N4—C15—C160.1 (9)
N1—Ru1—N2—C7142.9 (6)Ru2—N4—C15—C16161.5 (5)
S1—Ru1—N2—C7105.8 (5)N4—C15—C16—C173.9 (10)
Cl2—Ru1—N2—C717.0 (5)C15—C16—C17—C184.0 (10)
Cl1—Ru1—N2—C771.8 (5)C16—C17—C18—C190.7 (9)
N2—Ru1—N3—C128.7 (4)C15—N4—C19—C183.4 (8)
N1—Ru1—N3—C12179.9 (4)Ru2—N4—C19—C18160.5 (4)
S1—Ru1—N3—C1285.2 (4)C15—N4—C19—C20177.8 (5)
Cl2—Ru1—N3—C1288 (2)Ru2—N4—C19—C2013.9 (6)
Cl1—Ru1—N3—C1295.5 (4)C17—C18—C19—N43.1 (8)
N2—Ru1—N3—C6178.2 (4)C17—C18—C19—C20176.9 (5)
N1—Ru1—N3—C610.6 (4)C26—N6—C20—C26ii6.1 (9)
S1—Ru1—N3—C684.3 (4)Ru2—N6—C20—C26ii165.8 (4)
Cl2—Ru1—N3—C681 (2)C26—N6—C20—C19171.7 (5)
Cl1—Ru1—N3—C695.0 (4)Ru2—N6—C20—C1916.4 (6)
N6—Ru2—N4—C15166.4 (6)N4—C19—C20—N619.5 (7)
N5—Ru2—N4—C15142.2 (6)C18—C19—C20—N6154.7 (5)
S2—Ru2—N4—C15104.1 (5)N4—C19—C20—C26ii163.0 (6)
Cl4—Ru2—N4—C1515.9 (5)C18—C19—C20—C26ii22.8 (9)
Cl3—Ru2—N4—C1572.4 (5)C25—N5—C21—C224.4 (9)
N6—Ru2—N4—C194.2 (4)Ru2—N5—C21—C22156.3 (5)
N5—Ru2—N4—C1920.0 (8)N5—C21—C22—C231.6 (10)
S2—Ru2—N4—C1993.7 (4)C21—C22—C23—C240.5 (9)
Cl4—Ru2—N4—C19178.1 (4)C22—C23—C24—C250.3 (9)
Cl3—Ru2—N4—C1989.8 (4)C21—N5—C25—C245.1 (8)
N6—Ru2—N5—C21163.7 (6)Ru2—N5—C25—C24158.0 (4)
N4—Ru2—N5—C21139.6 (6)C21—N5—C25—C26174.9 (5)
S2—Ru2—N5—C21107.1 (5)Ru2—N5—C25—C2611.9 (6)
Cl4—Ru2—N5—C2118.6 (6)C23—C24—C25—N53.1 (9)
Cl3—Ru2—N5—C2169.3 (5)C23—C24—C25—C26171.8 (5)
N6—Ru2—N5—C252.1 (4)C20—N6—C26—C20ii6.0 (9)
N4—Ru2—N5—C2522.0 (8)Ru2—N6—C26—C20ii165.9 (4)
S2—Ru2—N5—C2591.3 (4)C20—N6—C26—C25170.4 (5)
Cl4—Ru2—N5—C25179.8 (4)Ru2—N6—C26—C2517.7 (6)
Cl3—Ru2—N5—C2592.3 (4)N5—C25—C26—N619.0 (7)
N4—Ru2—N6—C207.4 (4)C24—C25—C26—N6150.4 (5)
N5—Ru2—N6—C20178.5 (4)N5—C25—C26—C20ii165.2 (6)
S2—Ru2—N6—C2086.0 (4)C24—C25—C26—C20ii25.4 (9)
Symmetry codes: (i) x1, y, z+2; (ii) x2, y+1, z+2.
 

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