Information card for entry 2013425

Structure parameters

• Formula: C46 H38 N12 Ru S2
• Calculated formula: C46 H38 N12 Ru S2
• SMILES: C(=N\Nc1ccccc1)(/N=Nc1ccccc1)S[Ru]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)S/C(=N\Nc1ccccc1)N=Nc1ccccc1
• Title of publication: A ruthenium complex with 1,5-diphenyl-3-thiocarbazone (dithizone) as monodentate ligands: bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(dithizonato-κ<i>S</i>)ruthenium(II)
• Authors of publication: Seamans, Gary; Walsh, Jerry L.; Krawiec, Mariusz; Pennington, William T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m268 - m270
• a: 18.831 ± 0.005 Å
• b: 16.423 ± 0.004 Å
• c: 14.65 ± 0.004 Å
• α: 90°
• β: 98.107 ± 0.006°
• γ: 90°
• Cell volume: 4485 ± 2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes