Information card for entry 4114896

Structure parameters

• Formula: C4 H24 B9 Br2 N
• Calculated formula: C4 H24 B9 Br2 N
• 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: 8.8043 ± 0.0004 Å
• b: 18.4412 ± 0.0007 Å
• c: 10.0523 ± 0.0004 Å
• α: 90°
• β: 99.256 ± 0.004°
• γ: 90°
• Cell volume: 1610.86 ± 0.12 ų
• Cell temperature: 73 ± 2 K
• Ambient diffraction temperature: 73 ± 2 K
• Number of distinct elements: 5
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No