Information card for entry 4114526

Structure parameters

• Formula: C8 H16 B7 P
• Calculated formula: C8 H16 B7 P
• SMILES: [P]12([BH]345[BH]678[BH]9%10%11[BH]%1236[BH]3%11([BH]6%10([BH]79([CH]258)[H]6)[H]3)[CH]14%12)c1ccccc1
• 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: 11.028 ± 0.0002 Å
• b: 11.0406 ± 0.0003 Å
• c: 10.7862 ± 0.0002 Å
• α: 107.62 ± 0.001°
• β: 91.338 ± 0.002°
• γ: 95.646 ± 0.001°
• Cell volume: 1243.64 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1123
• Weighted residual factors for significantly intense reflections: 0.108
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No