Information card for entry 4114897

Structure parameters

• Formula: B9 H14 K
• Calculated formula: B9 H14 K
• SMILES: [K+].[BH]1234[BH]567[BH]891[BH]1%107[BH]76([BH2]35([BH]2[BH]249[BH]81[H]2)[H]7)[H]%10
• 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: 7.717 ± 0.0015 Å
• b: 11.674 ± 0.002 Å
• c: 10.054 ± 0.002 Å
• α: 90°
• β: 95.09 ± 0.03°
• γ: 90°
• Cell volume: 902.2 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No