Information card for entry 4320741

Structure parameters

• Formula: C36 H41 B9 P2
• Calculated formula: C36 H41 B9 P2
• SMILES: [P]([BH]12[BH]345[BH]678[BH]9%103[BH]38([BH]7([P](c7ccccc7)(c7ccccc7)c7ccccc7)[BH]146)[BH]1%10([H]3)[BH]259[H]1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Isolation of a New Nonaborane Cluster Form: arachno-B9H11.(PPh3)2
• Authors of publication: Mitsuhiro Hata; Nigam P. Rath; Lawrence Barton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6852 - 6854
• a: 9.3251 ± 0.0003 Å
• b: 13.5243 ± 0.0004 Å
• c: 28.3923 ± 0.0009 Å
• α: 90°
• β: 96.556 ± 0.002°
• γ: 90°
• Cell volume: 3557.29 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No