Information card for entry 4110592

Structure parameters

• Common name: Compound 2a
• Formula: C181.63 H247.25 B2 Cl5.25 F48 P6 Rh6
• Calculated formula: C181.63 H247.26 B2 Cl5.25 F48 P6 Rh6
• Title of publication: High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions
• Authors of publication: Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 6247 - 6263
• a: 69.5388 ± 0.0004 Å
• b: 20.4464 ± 0.0001 Å
• c: 27.8999 ± 0.0002 Å
• α: 90°
• β: 100.821 ± 0.001°
• γ: 90°
• Cell volume: 38963.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No