Information card for entry 4070859

Structure parameters

• Common name: [(Cp*OH)Ru(benzene)]Cl
• Formula: C16 H21 Cl O Ru
• Calculated formula: C16 H21 Cl O Ru
• SMILES: [c]12([c]3([Ru]456789%102([c]1([c]4([c]35C)C)C)[cH]1[cH]7[cH]9[cH]%10[cH]8[cH]61)C)C[OH].[Cl-]
• Title of publication: [(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms
• Authors of publication: Fairchild, Robert M.; Holman, K. Travis
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1823
• a: 9.0438 ± 0.0005 Å
• b: 13.2365 ± 0.0007 Å
• c: 12.6151 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1510.13 ± 0.14 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No