Information card for entry 2014678

Structure parameters

• Chemical name: Chloro(η^6^-ethoxyphenyl){(1R,2R)-N-(p-toluenesulfonyl)- 1,2-diphenylethylenediamino}ruthenium(II) methanol solvate
• Formula: C30 H35 Cl N2 O4 Ru S
• Calculated formula: C30 H35 Cl N2 O4 Ru S
• SMILES: [Ru]1(Cl)([NH2][C@@H]([C@H](N1S(=O)(=O)c1ccc(cc1)C)c1ccccc1)c1ccccc1)([cH]12)([cH]13)([cH]21)([cH]12)([cH]21)[c]13OCC.OC
• Title of publication: [(1<i>R</i>,2<i>R</i>)-2-Amino-1,2-diphenyl-<i>N</i>-(<i>p</i>-tolylsulfonyl)ethylamido]chloro(η^6^-ethoxybenzene)ruthenium(II) methanol solvate
• Authors of publication: Soleimannejad, Janet; Adams, Harry; White, Colin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m125 - m126
• a: 7.888 ± 0.0015 Å
• b: 14.591 ± 0.003 Å
• c: 12.955 ± 0.002 Å
• α: 90°
• β: 91.799 ± 0.003°
• γ: 90°
• Cell volume: 1490.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes