Information card for entry 4301952

Structure parameters

• Formula: C4 H18 Al B5 N2 O12
• Calculated formula: C4 H18 Al B5 N2 O12
• Title of publication: Aluminoborates with Open Frameworks: Syntheses, Structures, and Properties
• Authors of publication: Cheng Rong; Zhiwu Yu; Qiang Wang; Shou-Tian Zheng; Chun-Yang Pan; Feng Deng; Guo-Yu Yang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3650 - 3659
• a: 8.502 ± 0.003 Å
• b: 13.518 ± 0.005 Å
• c: 13.914 ± 0.004 Å
• α: 90°
• β: 110.91 ± 0.017°
• γ: 90°
• Cell volume: 1493.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No