Information card for entry 4076638

Structure parameters

• Formula: C44.5 H87 B K2 O P2 Ru
• Calculated formula: C44.5 H87 B K2 O P2 Ru
• Title of publication: Multifunctional Ruthenium Catalysts: A Novel Borohydride-Stabilized Polyhydride Complex Containing the Basic, Chelating Diphosphine 1,4-Bis(dicyclohexylphosphino)butane and Its Application to Hydrogenation and Murai Catalysis
• Authors of publication: Drouin, Samantha D.; Amoroso, Dino; Yap, Glenn P. A.; Fogg, Deryn E.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1042
• a: 12.7045 ± 0.0019 Å
• b: 14.274 ± 0.002 Å
• c: 16.288 ± 0.002 Å
• α: 70.154 ± 0.003°
• β: 71.34 ± 0.003°
• γ: 64.262 ± 0.002°
• Cell volume: 2450.2 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No