Information card for entry 4109067

Structure parameters

• Common name: Cy-[H12]+
• Formula: C178.5 H265.5 B F24 P6 Rh6
• Calculated formula: C178.5 H265.5 B F24 P6 Rh6
• Title of publication: Sequential Reduction of High Hydride Count Octahedral Rhodium Clusters [Rh6(PR3)6H12][BArF4]2: Redox-Switchable Hydrogen Storage
• Authors of publication: Simon K. Brayshaw; Andrew Harrison; J. Scott McIndoe; Frank Marken; Paul R. Raithby; John E. Warren; Andrew S. Weller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1793 - 1804
• a: 20.342 ± 0.0001 Å
• b: 24.448 ± 0.0002 Å
• c: 35.36 ± 0.0003 Å
• α: 90°
• β: 90.13°
• γ: 90°
• Cell volume: 17585.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No