Information card for entry 4114522

Structure parameters

• Formula: C8 H16 B7 P
• Calculated formula: C8 H16 B7 P
• Title of publication: Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11
• Authors of publication: Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 16058 - 16073
• a: 12.5579 ± 0.0001 Å
• b: 15.6169 ± 0.0002 Å
• c: 12.6071 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2472.45 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections: 0.1548
• Weighted residual factors for significantly intense reflections: 0.1519
• Goodness-of-fit parameter for all reflections: 1.316
• Goodness-of-fit parameter for significantly intense reflections: 1.333
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No