Information card for entry 2204874

Structure parameters

• Chemical name: [1,3-Bis(2-pyridylimino)isoindolinato-κ^3^N,N',N'']chloro(1,2-dicyanobenzene- κN)(dimethyl sulfoxide-κS)ruthenium(II)
• Formula: C28 H22 Cl N7 O Ru S
• Calculated formula: C28 H22 Cl N7 O Ru S
• SMILES: [Ru]12(Cl)([S](=O)(C)C)([n]3ccccc3N=C3N1C(=Nc1[n]2cccc1)c1c3cccc1)[N]#Cc1ccccc1C#N
• Title of publication: [1,3-Bis(2-pyridylimino)isoindolinato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']chloro(1,2-dicyanobenzene-κ<i>N</i>)(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)
• Authors of publication: Tamil Selvi Pitchumony; Helen Stoeckli-Evans
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m69 - m71
• a: 11.5299 ± 0.0005 Å
• b: 12.9081 ± 0.0005 Å
• c: 17.4774 ± 0.0009 Å
• α: 90°
• β: 94.538 ± 0.004°
• γ: 90°
• Cell volume: 2593 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes