Information card for entry 2209783

Structure parameters

• Chemical name: cis,cis-μ-2,3,5,6-Tetra-2-pyridylpyrazine- κ^3^N^1^,N^2^,N^6^:κ^3^N^3^,N^4^,N^5^-bis[dichloro(dimethyl sulfoxide-κS)ruthenium(II)] dihydrate acetone disolvate
• Formula: C34 H44 Cl4 N6 O6 Ru2 S2
• Calculated formula: C28 H28 Cl4 N6 O2 Ru2 S2
• SMILES: c1cccc2c3[n]4[Ru]([n]12)(Cl)(Cl)([n]1ccccc1c4c1c2cccc[n]2[Ru]2([n]4ccccc4c3[n]12)([S](=O)(C)C)(Cl)Cl)[S](C)(=O)C
• Title of publication: <i>cis</i>,<i>cis</i>-μ-2,3,5,6-Tetra-2-pyridylpyrazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^:κ^3^<i>N</i>^3^,<i>N</i>^4^,<i>N</i>^5^-bis[dichloro(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)] dihydrate acetone disolvate
• Authors of publication: Hadadzadeh, Hassan; Yap, Glenn P. A.; Crutchley, Robert J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m2002 - m2004
• a: 11.994 ± 0.006 Å
• b: 12.477 ± 0.007 Å
• c: 13.345 ± 0.007 Å
• α: 77.227 ± 0.007°
• β: 81.505 ± 0.007°
• γ: 89.837 ± 0.007°
• Cell volume: 1925.4 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes