Information card for entry 4322092

Structure parameters

• Formula: C59 H65 B9 Cl4 Cu O P3 Ru
• Calculated formula: C59 H61 B9 Cl4 Cu O P3 Ru
• Title of publication: The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes
• Authors of publication: Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2981 - 2988
• a: 12.7415 ± 0.001 Å
• b: 33.576 ± 0.003 Å
• c: 14.0383 ± 0.0013 Å
• α: 90°
• β: 96.628 ± 0.008°
• γ: 90°
• Cell volume: 5965.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.0876
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No