Information card for entry 1565893

Structure parameters

• Chemical name: Dichlorido(η^6^-<i>p</i>-cymene)[tris(4-methoxyphenyl)phosphane]ruthenium(II)
• Formula: C31 H35 Cl2 O3 P Ru
• Calculated formula: C31 H35 Cl2 O3 P Ru
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456([P](c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl)C)C(C)C
• Title of publication: Dichlorido(η6-p-cymene)[tris(4-methoxyphenyl)phosphane]ruthenium(II)
• Authors of publication: Davis, Wade L.; Muller, Alfred
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 12
• a: 12.4069 ± 0.0017 Å
• b: 14.0221 ± 0.0019 Å
• c: 16.934 ± 0.002 Å
• α: 91.459 ± 0.003°
• β: 91.205 ± 0.003°
• γ: 90.613 ± 0.003°
• Cell volume: 2944.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes