Information card for entry 4073221

Structure parameters

• Common name: [Cp*Ru(benzamide)]Cl hydrate
• Formula: C17 H24 Cl N O2 Ru
• Calculated formula: C17 H24 Cl N O2 Ru
• SMILES: [Ru]123456789([c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)C)[cH]1[cH]5[cH]6[cH]7[cH]8[c]91C(N)=O.[Cl-].O
• Title of publication: Facile, Near-Quantitative, Aqueous Routes to Nearly Any [Cp*Ru(η6-arene)]Cl Compound
• Authors of publication: Fairchild, Robert M.; Holman, K. Travis
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 3049
• a: 7.4013 ± 0.0004 Å
• b: 17.2203 ± 0.001 Å
• c: 13.4802 ± 0.0008 Å
• α: 90°
• β: 95.861 ± 0.001°
• γ: 90°
• Cell volume: 1709.11 ± 0.17 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No