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

Hadadzadeh, H.; Yap, G.P.A.; Crutchley, R.J.

doi:10.1107/S1600536806028959

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

H. Hadadzadeh, G. P. A. Yap and R. J. Crutchley

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.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806028959/cf2045sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806028959/cf2045Isup2.hkl Contains datablock I

CCDC reference: 618149

checkCIF report

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.009 Å
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·2H₂O	Z = 2
M_r = 1040.81	F(000) = 1052
Triclinic, P1	D_x = 1.795 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 11.994 (6) Å	Cell parameters from 1020 reflections
b = 12.477 (7) Å	θ = 2.5–28.0°
c = 13.345 (7) Å	µ = 1.22 mm⁻¹
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 tube	7702 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.035
Detector resolution: 836.6 pixels mm^-1	θ_max = 28.2°, θ_min = 1.6°
ω scans	h = −15→15
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	k = −16→16
T_min = 0.751, T_max = 0.953	l = −17→17
20958 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.066	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.176	H-atom parameters constrained
S = 1.05	w = 1/[σ²(F_o²) + (0.088P)² + 20.0195P] where P = (F_o² + 2F_c²)/3
8537 reflections	(Δ/σ)_max = 0.001
401 parameters	Δρ_max = 0.20 e Å⁻³
0 restraints	Δρ_min = −1.29 e Å⁻³

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

	x	y	z	U_iso*/U_eq
Ru1	−0.59454 (4)	−0.01987 (4)	0.78720 (3)	0.01223 (13)
Ru2	−1.08860 (4)	0.62116 (4)	0.78283 (4)	0.01343 (13)
S1	−0.41433 (11)	0.02213 (12)	0.71503 (11)	0.0161 (3)
S2	−0.90944 (11)	0.61492 (12)	0.70696 (12)	0.0164 (3)
Cl1	−0.79034 (11)	−0.06802 (12)	0.85791 (12)	0.0192 (3)
Cl2	−0.63515 (13)	−0.02856 (14)	0.61748 (11)	0.0231 (3)
Cl3	−1.28476 (11)	0.63445 (12)	0.85428 (12)	0.0204 (3)
Cl4	−1.13214 (13)	0.71194 (13)	0.61383 (12)	0.0243 (3)
N1	−0.5661 (4)	−0.1839 (4)	0.8454 (4)	0.0158 (9)
N2	−0.6320 (4)	0.1415 (4)	0.7895 (4)	0.0150 (9)
N3	−0.5520 (4)	−0.0111 (4)	0.9203 (4)	0.0117 (9)
N4	−1.1245 (4)	0.4596 (4)	0.7834 (4)	0.0183 (10)
N5	−1.0626 (4)	0.7571 (4)	0.8414 (4)	0.0159 (9)
N6	−1.0470 (4)	0.5493 (4)	0.9165 (4)	0.0131 (9)
O1	−0.3387 (4)	0.0485 (4)	0.7850 (4)	0.0262 (10)
O2	−0.8307 (4)	0.5517 (4)	0.7723 (4)	0.0263 (10)
C1	−0.6069 (5)	−0.2687 (5)	0.8123 (5)	0.0193 (12)
H1A	−0.6268	−0.2552	0.7444	0.023*
C2	−0.6205 (5)	−0.3727 (5)	0.8725 (6)	0.0229 (13)
H2A	−0.6479	−0.4307	0.8462	0.027*
C3	−0.5939 (5)	−0.3931 (5)	0.9728 (5)	0.0212 (12)
H3A	−0.6038	−0.4649	1.0162	0.025*
C4	−0.5527 (5)	−0.3073 (5)	1.0084 (5)	0.0159 (11)
H4A	−0.5346	−0.3193	1.0769	0.019*
C5	−0.5379 (4)	−0.2025 (5)	0.9422 (4)	0.0142 (11)
C6	−0.5080 (4)	−0.1024 (4)	0.9764 (4)	0.0114 (10)
C7	−0.6933 (6)	0.2082 (5)	0.7258 (5)	0.0238 (13)
H7A	−0.7059	0.1888	0.6633	0.029*
C8	−0.7385 (6)	0.3042 (6)	0.7484 (6)	0.0275 (14)
H8A	−0.7766	0.3524	0.7000	0.033*
C9	−0.7271 (5)	0.3283 (5)	0.8426 (5)	0.0201 (12)
H9A	−0.7623	0.3903	0.8624	0.024*
C10	−0.6635 (5)	0.2603 (4)	0.9078 (5)	0.0161 (11)
H10A	−0.6539	0.2758	0.9727	0.019*
C11	−0.6139 (4)	0.1696 (4)	0.8777 (4)	0.0134 (10)
C12	−0.5501 (5)	0.0892 (4)	0.9450 (5)	0.0139 (10)
C13	−0.3506 (5)	−0.0836 (5)	0.6573 (5)	0.0237 (13)
H13A	−0.2742	−0.0593	0.6224	0.036*
H13B	−0.3958	−0.0993	0.6065	0.036*
H13C	−0.3467	−0.1504	0.7114	0.036*
C14	−0.4020 (6)	0.1348 (6)	0.6051 (5)	0.0262 (14)
H14A	−0.3222	0.1506	0.5767	0.039*
H14B	−0.4352	0.1997	0.6263	0.039*
H14C	−0.4419	0.1160	0.5520	0.039*
C15	−1.1845 (5)	0.4230 (6)	0.7192 (5)	0.0238 (13)
H15A	−1.1952	0.4717	0.6560	0.029*
C16	−1.2313 (6)	0.3175 (6)	0.7416 (6)	0.0279 (14)
H16A	−1.2691	0.2931	0.6926	0.033*
C17	−1.2222 (5)	0.2477 (5)	0.8365 (6)	0.0223 (13)
H17A	−1.2577	0.1767	0.8554	0.027*
C18	−1.1600 (5)	0.2838 (5)	0.9035 (5)	0.0174 (11)
H18A	−1.1519	0.2372	0.9686	0.021*
C19	−1.1097 (5)	0.3890 (5)	0.8744 (5)	0.0150 (11)
C20	−1.0465 (5)	0.4375 (4)	0.9417 (4)	0.0135 (10)
C21	−1.0977 (6)	0.8581 (5)	0.8060 (6)	0.0274 (14)
H21A	−1.1116	0.8779	0.7361	0.033*
C22	−1.1145 (5)	0.9350 (5)	0.8664 (6)	0.0224 (13)
H22A	−1.1414	1.0055	0.8390	0.027*
C23	−1.0920 (5)	0.9084 (5)	0.9657 (5)	0.0217 (13)
H23A	−1.1036	0.9600	1.0088	0.026*
C24	−1.0522 (5)	0.8054 (5)	1.0035 (5)	0.0183 (11)
H24A	−1.0365	0.7856	1.0728	0.022*
C25	−1.0352 (4)	0.7310 (4)	0.9394 (5)	0.0147 (11)
C26	−1.0070 (4)	0.6143 (4)	0.9742 (4)	0.0136 (10)
C27	−0.8994 (6)	0.5606 (6)	0.5930 (6)	0.0299 (15)
H27B	−0.8200	0.5512	0.5673	0.045*
H27C	−0.9329	0.6115	0.5393	0.045*
H27D	−0.9399	0.4893	0.6097	0.045*
C28	−0.8467 (5)	0.7484 (6)	0.6529 (6)	0.0261 (14)
H28B	−0.7714	0.7416	0.6152	0.039*
H28C	−0.8406	0.7864	0.7088	0.039*
H28D	−0.8937	0.7905	0.6049	0.039*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ru1	0.0092 (2)	0.0130 (2)	0.0160 (2)	0.00182 (15)	−0.00278 (16)	−0.00568 (16)
Ru2	0.0095 (2)	0.0120 (2)	0.0195 (2)	0.00138 (15)	−0.00347 (16)	−0.00396 (16)
S1	0.0105 (6)	0.0185 (7)	0.0202 (7)	0.0009 (5)	−0.0016 (5)	−0.0068 (5)
S2	0.0103 (6)	0.0158 (7)	0.0234 (7)	0.0033 (5)	−0.0030 (5)	−0.0046 (5)
Cl1	0.0110 (6)	0.0201 (7)	0.0267 (7)	0.0006 (5)	0.0003 (5)	−0.0082 (5)
Cl2	0.0196 (7)	0.0334 (8)	0.0186 (7)	−0.0009 (6)	−0.0047 (5)	−0.0093 (6)
Cl3	0.0112 (6)	0.0200 (7)	0.0291 (8)	−0.0005 (5)	0.0011 (5)	−0.0060 (6)
Cl4	0.0176 (7)	0.0305 (8)	0.0235 (7)	0.0065 (6)	−0.0064 (5)	−0.0014 (6)
N1	0.012 (2)	0.012 (2)	0.025 (3)	0.0023 (17)	−0.0024 (18)	−0.0080 (19)
N2	0.009 (2)	0.014 (2)	0.021 (2)	0.0017 (17)	−0.0004 (18)	−0.0023 (18)
N3	0.007 (2)	0.010 (2)	0.018 (2)	0.0016 (16)	−0.0013 (16)	−0.0034 (17)
N4	0.018 (2)	0.016 (2)	0.025 (3)	0.0013 (19)	−0.006 (2)	−0.012 (2)
N5	0.011 (2)	0.014 (2)	0.023 (2)	0.0010 (18)	−0.0037 (18)	−0.0032 (19)
N6	0.012 (2)	0.009 (2)	0.019 (2)	0.0006 (17)	−0.0008 (17)	−0.0050 (17)
O1	0.017 (2)	0.032 (3)	0.037 (3)	0.0004 (18)	−0.0113 (19)	−0.018 (2)
O2	0.016 (2)	0.025 (2)	0.038 (3)	0.0061 (18)	−0.0083 (19)	−0.003 (2)
C1	0.011 (3)	0.027 (3)	0.022 (3)	0.002 (2)	0.000 (2)	−0.012 (2)
C2	0.013 (3)	0.018 (3)	0.044 (4)	0.000 (2)	−0.002 (2)	−0.020 (3)
C3	0.010 (3)	0.012 (3)	0.040 (4)	0.001 (2)	−0.002 (2)	−0.005 (2)
C4	0.011 (2)	0.013 (3)	0.023 (3)	0.000 (2)	−0.001 (2)	−0.003 (2)
C5	0.009 (2)	0.014 (3)	0.021 (3)	−0.0008 (19)	0.001 (2)	−0.010 (2)
C6	0.009 (2)	0.007 (2)	0.018 (3)	0.0017 (18)	0.0004 (19)	−0.0033 (19)
C7	0.023 (3)	0.023 (3)	0.026 (3)	0.004 (2)	−0.010 (3)	−0.002 (2)
C8	0.021 (3)	0.022 (3)	0.039 (4)	0.008 (3)	−0.016 (3)	0.001 (3)
C9	0.008 (2)	0.013 (3)	0.036 (3)	0.005 (2)	−0.002 (2)	−0.001 (2)
C10	0.017 (3)	0.009 (2)	0.024 (3)	0.001 (2)	−0.006 (2)	−0.005 (2)
C11	0.007 (2)	0.011 (2)	0.019 (3)	0.0009 (19)	−0.0001 (19)	0.001 (2)
C12	0.013 (2)	0.008 (2)	0.021 (3)	0.0040 (19)	−0.003 (2)	−0.005 (2)
C13	0.015 (3)	0.025 (3)	0.031 (3)	0.005 (2)	0.000 (2)	−0.011 (3)
C14	0.020 (3)	0.028 (3)	0.025 (3)	−0.004 (3)	0.000 (2)	0.003 (3)
C15	0.017 (3)	0.027 (3)	0.033 (3)	0.002 (2)	−0.010 (3)	−0.016 (3)
C16	0.020 (3)	0.028 (3)	0.043 (4)	−0.004 (3)	−0.011 (3)	−0.018 (3)
C17	0.015 (3)	0.010 (3)	0.047 (4)	0.000 (2)	−0.008 (3)	−0.016 (3)
C18	0.011 (3)	0.011 (3)	0.030 (3)	0.001 (2)	0.001 (2)	−0.007 (2)
C19	0.012 (2)	0.011 (2)	0.024 (3)	0.003 (2)	−0.001 (2)	−0.009 (2)
C20	0.011 (2)	0.010 (2)	0.021 (3)	0.0019 (19)	−0.002 (2)	−0.006 (2)
C21	0.025 (3)	0.014 (3)	0.045 (4)	−0.002 (2)	−0.016 (3)	−0.004 (3)
C22	0.008 (3)	0.015 (3)	0.043 (4)	0.006 (2)	−0.006 (2)	−0.005 (3)
C23	0.015 (3)	0.011 (3)	0.041 (4)	0.002 (2)	−0.004 (2)	−0.011 (2)
C24	0.013 (3)	0.017 (3)	0.026 (3)	−0.001 (2)	0.002 (2)	−0.010 (2)
C25	0.009 (2)	0.009 (2)	0.025 (3)	0.0030 (19)	0.000 (2)	−0.005 (2)
C26	0.008 (2)	0.011 (2)	0.022 (3)	0.0037 (19)	−0.003 (2)	−0.006 (2)
C27	0.018 (3)	0.040 (4)	0.034 (4)	0.009 (3)	0.001 (3)	−0.017 (3)
C28	0.016 (3)	0.025 (3)	0.034 (4)	−0.001 (2)	−0.003 (3)	0.000 (3)

Geometric parameters (Å, º) top

Ru1—N3	1.944 (5)	C7—H7A	0.950
Ru1—N2	2.068 (5)	C8—C9	1.381 (10)
Ru1—N1	2.068 (5)	C8—H8A	0.950
Ru1—S1	2.2454 (18)	C9—C10	1.388 (8)
Ru1—Cl2	2.4112 (19)	C9—H9A	0.950
Ru1—Cl1	2.4226 (18)	C10—C11	1.386 (8)
Ru2—N6	1.946 (5)	C10—H10A	0.950
Ru2—N4	2.061 (5)	C11—C12	1.483 (7)
Ru2—N5	2.061 (5)	C12—C6ⁱ	1.381 (8)
Ru2—S2	2.2450 (18)	C13—H13A	0.980
Ru2—Cl4	2.4201 (19)	C13—H13B	0.980
Ru2—Cl3	2.4242 (18)	C13—H13C	0.980
S1—O1	1.481 (4)	C14—H14A	0.980
S1—C14	1.782 (7)	C14—H14B	0.980
S1—C13	1.786 (6)	C14—H14C	0.980
S2—O2	1.487 (5)	C15—C16	1.385 (9)
S2—C28	1.782 (7)	C15—H15A	0.950
S2—C27	1.786 (7)	C16—C17	1.388 (10)
N1—C1	1.352 (8)	C16—H16A	0.950
N1—C5	1.354 (8)	C17—C18	1.390 (8)
N2—C11	1.347 (8)	C17—H17A	0.950
N2—C7	1.351 (8)	C18—C19	1.396 (8)
N3—C12	1.364 (7)	C18—H18A	0.950
N3—C6	1.369 (7)	C19—C20	1.482 (8)
N4—C15	1.348 (8)	C20—C26ⁱⁱ	1.406 (8)
N4—C19	1.368 (8)	C21—C22	1.380 (10)
N5—C21	1.334 (8)	C21—H21A	0.950
N5—C25	1.364 (8)	C22—C23	1.361 (10)
N6—C20	1.360 (7)	C22—H22A	0.950
N6—C26	1.368 (7)	C23—C24	1.384 (8)
C1—C2	1.364 (9)	C23—H23A	0.950
C1—H1A	0.950	C24—C25	1.390 (8)
C2—C3	1.391 (10)	C24—H24A	0.950
C2—H2A	0.950	C25—C26	1.482 (7)
C3—C4	1.383 (8)	C26—C20ⁱⁱ	1.406 (8)
C3—H3A	0.950	C27—H27B	0.980
C4—C5	1.403 (8)	C27—H27C	0.980
C4—H4A	0.950	C27—H27D	0.980
C5—C6	1.483 (7)	C28—H28B	0.980
C6—C12ⁱ	1.381 (8)	C28—H28C	0.980
C7—C8	1.388 (10)	C28—H28D	0.980

N3—Ru1—N2	79.62 (19)	N2—C7—C8	122.3 (6)
N3—Ru1—N1	80.12 (19)	N2—C7—H7A	118.9
N2—Ru1—N1	157.9 (2)	C8—C7—H7A	118.9
N3—Ru1—S1	88.33 (14)	C9—C8—C7	118.8 (6)
N2—Ru1—S1	93.51 (14)	C9—C8—H8A	120.6
N1—Ru1—S1	94.57 (14)	C7—C8—H8A	120.6
N3—Ru1—Cl2	176.45 (14)	C8—C9—C10	118.9 (6)
N2—Ru1—Cl2	100.79 (14)	C8—C9—H9A	120.6
N1—Ru1—Cl2	99.98 (15)	C10—C9—H9A	120.6
S1—Ru1—Cl2	88.13 (6)	C11—C10—C9	119.6 (6)
N3—Ru1—Cl1	94.23 (14)	C11—C10—H10A	120.2
N2—Ru1—Cl1	87.67 (13)	C9—C10—H10A	120.2
N1—Ru1—Cl1	85.17 (14)	N2—C11—C10	121.5 (5)
S1—Ru1—Cl1	177.34 (5)	N2—C11—C12	114.9 (5)
Cl2—Ru1—Cl1	89.32 (6)	C10—C11—C12	123.1 (5)
N6—Ru2—N4	80.0 (2)	N3—C12—C6ⁱ	118.9 (5)
N6—Ru2—N5	80.19 (19)	N3—C12—C11	111.0 (5)
N4—Ru2—N5	158.3 (2)	C6ⁱ—C12—C11	130.1 (5)
N6—Ru2—S2	90.11 (14)	S1—C13—H13A	109.5
N4—Ru2—S2	93.33 (15)	S1—C13—H13B	109.5
N5—Ru2—S2	95.40 (14)	H13A—C13—H13B	109.5
N6—Ru2—Cl4	177.64 (14)	S1—C13—H13C	109.5
N4—Ru2—Cl4	100.68 (15)	H13A—C13—H13C	109.5
N5—Ru2—Cl4	99.47 (15)	H13B—C13—H13C	109.5
S2—Ru2—Cl4	87.60 (6)	S1—C14—H14A	109.5
N6—Ru2—Cl3	93.50 (14)	S1—C14—H14B	109.5
N4—Ru2—Cl3	87.59 (15)	H14A—C14—H14B	109.5
N5—Ru2—Cl3	84.93 (14)	S1—C14—H14C	109.5
S2—Ru2—Cl3	176.37 (6)	H14A—C14—H14C	109.5
Cl4—Ru2—Cl3	88.78 (6)	H14B—C14—H14C	109.5
O1—S1—C14	106.8 (3)	N4—C15—C16	122.8 (6)
O1—S1—C13	107.4 (3)	N4—C15—H15A	118.6
C14—S1—C13	100.9 (3)	C16—C15—H15A	118.6
O1—S1—Ru1	115.8 (2)	C15—C16—C17	119.2 (6)
C14—S1—Ru1	112.3 (2)	C15—C16—H16A	120.4
C13—S1—Ru1	112.5 (2)	C17—C16—H16A	120.4
O2—S2—C28	107.3 (3)	C16—C17—C18	118.8 (6)
O2—S2—C27	106.3 (3)	C16—C17—H17A	120.6
C28—S2—C27	100.4 (4)	C18—C17—H17A	120.6
O2—S2—Ru2	116.7 (2)	C17—C18—C19	119.4 (6)
C28—S2—Ru2	112.4 (2)	C17—C18—H18A	120.3
C27—S2—Ru2	112.3 (2)	C19—C18—H18A	120.3
C1—N1—C5	118.9 (5)	N4—C19—C18	121.5 (5)
C1—N1—Ru1	124.8 (4)	N4—C19—C20	114.4 (5)
C5—N1—Ru1	112.5 (4)	C18—C19—C20	123.9 (5)
C11—N2—C7	118.7 (5)	N6—C20—C26ⁱⁱ	118.8 (5)
C11—N2—Ru1	113.2 (4)	N6—C20—C19	111.3 (5)
C7—N2—Ru1	126.3 (4)	C26ⁱⁱ—C20—C19	129.9 (5)
C12—N3—C6	122.8 (5)	N5—C21—C22	122.9 (7)
C12—N3—Ru1	118.5 (4)	N5—C21—H21A	118.6
C6—N3—Ru1	117.8 (4)	C22—C21—H21A	118.6
C15—N4—C19	118.2 (5)	C23—C22—C21	119.0 (6)
C15—N4—Ru2	126.8 (4)	C23—C22—H22A	120.5
C19—N4—Ru2	112.7 (4)	C21—C22—H22A	120.5
C21—N5—C25	118.6 (5)	C22—C23—C24	119.3 (6)
C21—N5—Ru2	125.7 (4)	C22—C23—H23A	120.3
C25—N5—Ru2	113.2 (4)	C24—C23—H23A	120.3
C20—N6—C26	123.4 (5)	C23—C24—C25	119.6 (6)
C20—N6—Ru2	118.5 (4)	C23—C24—H24A	120.2
C26—N6—Ru2	117.7 (4)	C25—C24—H24A	120.2
N1—C1—C2	122.6 (6)	N5—C25—C24	120.4 (5)
N1—C1—H1A	118.7	N5—C25—C26	114.1 (5)
C2—C1—H1A	118.7	C24—C25—C26	124.7 (6)
C1—C2—C3	119.3 (6)	N6—C26—C20ⁱⁱ	117.6 (5)
C1—C2—H2A	120.4	N6—C26—C25	111.9 (5)
C3—C2—H2A	120.4	C20ⁱⁱ—C26—C25	130.4 (5)
C4—C3—C2	119.0 (6)	S2—C27—H27B	109.5
C4—C3—H3A	120.5	S2—C27—H27C	109.5
C2—C3—H3A	120.5	H27B—C27—H27C	109.5
C3—C4—C5	119.2 (6)	S2—C27—H27D	109.5
C3—C4—H4A	120.4	H27B—C27—H27D	109.5
C5—C4—H4A	120.4	H27C—C27—H27D	109.5
N1—C5—C4	120.9 (5)	S2—C28—H28B	109.5
N1—C5—C6	114.9 (5)	S2—C28—H28C	109.5
C4—C5—C6	123.5 (5)	H28B—C28—H28C	109.5
N3—C6—C12ⁱ	118.0 (5)	S2—C28—H28D	109.5
N3—C6—C5	110.9 (5)	H28B—C28—H28D	109.5
C12ⁱ—C6—C5	131.1 (5)	H28C—C28—H28D	109.5

N3—Ru1—S1—O1	−4.9 (3)	Cl4—Ru2—N6—C20	−100 (3)
N2—Ru1—S1—O1	74.6 (3)	Cl3—Ru2—N6—C20	94.3 (4)
N1—Ru1—S1—O1	−84.9 (3)	N4—Ru2—N6—C26	179.7 (4)
Cl2—Ru1—S1—O1	175.3 (2)	N5—Ru2—N6—C26	−9.1 (4)
Cl1—Ru1—S1—O1	−169.1 (11)	S2—Ru2—N6—C26	86.3 (4)
N3—Ru1—S1—C14	−127.9 (3)	Cl4—Ru2—N6—C26	73 (3)
N2—Ru1—S1—C14	−48.4 (3)	Cl3—Ru2—N6—C26	−93.4 (4)
N1—Ru1—S1—C14	152.2 (3)	C5—N1—C1—C2	−0.2 (8)
Cl2—Ru1—S1—C14	52.3 (3)	Ru1—N1—C1—C2	−156.8 (5)
Cl1—Ru1—S1—C14	67.9 (12)	N1—C1—C2—C3	1.3 (9)
N3—Ru1—S1—C13	119.0 (3)	C1—C2—C3—C4	−0.9 (9)
N2—Ru1—S1—C13	−161.5 (3)	C2—C3—C4—C5	−0.6 (8)
N1—Ru1—S1—C13	39.1 (3)	C1—N1—C5—C4	−1.3 (8)
Cl2—Ru1—S1—C13	−60.8 (3)	Ru1—N1—C5—C4	158.0 (4)
Cl1—Ru1—S1—C13	−45.1 (12)	C1—N1—C5—C6	−172.6 (5)
N6—Ru2—S2—O2	7.5 (3)	Ru1—N1—C5—C6	−13.3 (6)
N4—Ru2—S2—O2	−72.5 (3)	C3—C4—C5—N1	1.7 (8)
N5—Ru2—S2—O2	87.6 (3)	C3—C4—C5—C6	172.2 (5)
Cl4—Ru2—S2—O2	−173.1 (2)	C12—N3—C6—C12ⁱ	−6.4 (9)
Cl3—Ru2—S2—O2	−177.1 (8)	Ru1—N3—C6—C12ⁱ	162.7 (4)
N6—Ru2—S2—C28	−117.1 (3)	C12—N3—C6—C5	170.9 (5)
N4—Ru2—S2—C28	162.9 (3)	Ru1—N3—C6—C5	−20.0 (6)
N5—Ru2—S2—C28	−36.9 (3)	N1—C5—C6—N3	21.5 (7)
Cl4—Ru2—S2—C28	62.4 (3)	C4—C5—C6—N3	−149.6 (5)
Cl3—Ru2—S2—C28	58.3 (9)	N1—C5—C6—C12ⁱ	−161.7 (6)
N6—Ru2—S2—C27	130.6 (3)	C4—C5—C6—C12ⁱ	27.3 (9)
N4—Ru2—S2—C27	50.6 (3)	C11—N2—C7—C8	−0.3 (9)
N5—Ru2—S2—C27	−149.3 (3)	Ru1—N2—C7—C8	163.2 (5)
Cl4—Ru2—S2—C27	−50.0 (3)	N2—C7—C8—C9	−4.6 (10)
Cl3—Ru2—S2—C27	−54.1 (9)	C7—C8—C9—C10	4.9 (10)
N3—Ru1—N1—C1	159.9 (5)	C8—C9—C10—C11	−0.6 (9)
N2—Ru1—N1—C1	136.3 (5)	C7—N2—C11—C10	4.8 (8)
S1—Ru1—N1—C1	−112.6 (5)	Ru1—N2—C11—C10	−160.7 (4)
Cl2—Ru1—N1—C1	−23.7 (5)	C7—N2—C11—C12	177.4 (5)
Cl1—Ru1—N1—C1	64.8 (5)	Ru1—N2—C11—C12	11.9 (6)
N3—Ru1—N1—C5	2.1 (4)	C9—C10—C11—N2	−4.4 (9)
N2—Ru1—N1—C5	−21.5 (7)	C9—C10—C11—C12	−176.4 (5)
S1—Ru1—N1—C5	89.6 (4)	C6—N3—C12—C6ⁱ	6.4 (9)
Cl2—Ru1—N1—C5	178.5 (4)	Ru1—N3—C12—C6ⁱ	−162.5 (4)
Cl1—Ru1—N1—C5	−93.0 (4)	C6—N3—C12—C11	−174.2 (5)
N3—Ru1—N2—C11	−2.3 (4)	Ru1—N3—C12—C11	16.9 (6)
N1—Ru1—N2—C11	21.3 (7)	N2—C11—C12—N3	−18.4 (7)
S1—Ru1—N2—C11	−90.0 (4)	C10—C11—C12—N3	154.0 (5)
Cl2—Ru1—N2—C11	−178.7 (3)	N2—C11—C12—C6ⁱ	160.9 (6)
Cl1—Ru1—N2—C11	92.4 (4)	C10—C11—C12—C6ⁱ	−26.7 (9)
N3—Ru1—N2—C7	−166.6 (5)	C19—N4—C15—C16	−0.1 (9)
N1—Ru1—N2—C7	−142.9 (6)	Ru2—N4—C15—C16	−161.5 (5)
S1—Ru1—N2—C7	105.8 (5)	N4—C15—C16—C17	3.9 (10)
Cl2—Ru1—N2—C7	17.0 (5)	C15—C16—C17—C18	−4.0 (10)
Cl1—Ru1—N2—C7	−71.8 (5)	C16—C17—C18—C19	0.7 (9)
N2—Ru1—N3—C12	−8.7 (4)	C15—N4—C19—C18	−3.4 (8)
N1—Ru1—N3—C12	−179.9 (4)	Ru2—N4—C19—C18	160.5 (4)
S1—Ru1—N3—C12	85.2 (4)	C15—N4—C19—C20	−177.8 (5)
Cl2—Ru1—N3—C12	88 (2)	Ru2—N4—C19—C20	−13.9 (6)
Cl1—Ru1—N3—C12	−95.5 (4)	C17—C18—C19—N4	3.1 (8)
N2—Ru1—N3—C6	−178.2 (4)	C17—C18—C19—C20	176.9 (5)
N1—Ru1—N3—C6	10.6 (4)	C26—N6—C20—C26ⁱⁱ	−6.1 (9)
S1—Ru1—N3—C6	−84.3 (4)	Ru2—N6—C20—C26ⁱⁱ	165.8 (4)
Cl2—Ru1—N3—C6	−81 (2)	C26—N6—C20—C19	171.7 (5)
Cl1—Ru1—N3—C6	95.0 (4)	Ru2—N6—C20—C19	−16.4 (6)
N6—Ru2—N4—C15	166.4 (6)	N4—C19—C20—N6	19.5 (7)
N5—Ru2—N4—C15	142.2 (6)	C18—C19—C20—N6	−154.7 (5)
S2—Ru2—N4—C15	−104.1 (5)	N4—C19—C20—C26ⁱⁱ	−163.0 (6)
Cl4—Ru2—N4—C15	−15.9 (5)	C18—C19—C20—C26ⁱⁱ	22.8 (9)
Cl3—Ru2—N4—C15	72.4 (5)	C25—N5—C21—C22	−4.4 (9)
N6—Ru2—N4—C19	4.2 (4)	Ru2—N5—C21—C22	156.3 (5)
N5—Ru2—N4—C19	−20.0 (8)	N5—C21—C22—C23	1.6 (10)
S2—Ru2—N4—C19	93.7 (4)	C21—C22—C23—C24	0.5 (9)
Cl4—Ru2—N4—C19	−178.1 (4)	C22—C23—C24—C25	0.3 (9)
Cl3—Ru2—N4—C19	−89.8 (4)	C21—N5—C25—C24	5.1 (8)
N6—Ru2—N5—C21	−163.7 (6)	Ru2—N5—C25—C24	−158.0 (4)
N4—Ru2—N5—C21	−139.6 (6)	C21—N5—C25—C26	174.9 (5)
S2—Ru2—N5—C21	107.1 (5)	Ru2—N5—C25—C26	11.9 (6)
Cl4—Ru2—N5—C21	18.6 (6)	C23—C24—C25—N5	−3.1 (9)
Cl3—Ru2—N5—C21	−69.3 (5)	C23—C24—C25—C26	−171.8 (5)
N6—Ru2—N5—C25	−2.1 (4)	C20—N6—C26—C20ⁱⁱ	6.0 (9)
N4—Ru2—N5—C25	22.0 (8)	Ru2—N6—C26—C20ⁱⁱ	−165.9 (4)
S2—Ru2—N5—C25	−91.3 (4)	C20—N6—C26—C25	−170.4 (5)
Cl4—Ru2—N5—C25	−179.8 (4)	Ru2—N6—C26—C25	17.7 (6)
Cl3—Ru2—N5—C25	92.3 (4)	N5—C25—C26—N6	−19.0 (7)
N4—Ru2—N6—C20	7.4 (4)	C24—C25—C26—N6	150.4 (5)
N5—Ru2—N6—C20	178.5 (4)	N5—C25—C26—C20ⁱⁱ	165.2 (6)
S2—Ru2—N6—C20	−86.0 (4)	C24—C25—C26—C20ⁱⁱ	−25.4 (9)

Symmetry codes: (i) −x−1, −y, −z+2; (ii) −x−2, −y+1, −z+2.

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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

Supporting information

Key indicators

checkCIF/PLATON results

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