Information card for entry 4127252

Structure parameters

• Formula: C9 H25 B11 N2
• Calculated formula: C9 H25 B11 N2
• SMILES: C1(N(C)C(C)=C(C)N1C)=[BH2][C]1234[BH]567[BH]891[BH]1%103[BH]3%119[BH]968[BH]687[BH]725[BH]256[BH]13([BH]%11982)[CH]4%1075
• Title of publication: Structural Characterization of a Boron(III) η²-σ-Silane-Complex.
• Authors of publication: Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 20
• Pages of publication: 8358 - 8363
• a: 12.895 ± 0.004 Å
• b: 13.313 ± 0.005 Å
• c: 9.993 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1715.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No