Information card for entry 4114898

Structure parameters

• Formula: C6 H16 B9 P
• Calculated formula: C6 H16 B9 P
• SMILES: [P]([BH]12[BH]345[BH]678[BH]9%103[BH]38([BH]87([BH]146[H]8)[H]3)[BH2]19[H][BH]25%101)(C#C)(C#C)C#C
• Title of publication: Structural Chemistry of arachno-Nonaboranes
• Authors of publication: Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 7429 - 7439
• a: 6.0434 ± 0.0007 Å
• b: 18.628 ± 0.002 Å
• c: 12.6874 ± 0.0015 Å
• α: 90°
• β: 92.062 ± 0.002°
• γ: 90°
• Cell volume: 1427.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.6942 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No