Information card for entry 7701851

Structure parameters

• Formula: C3 H13 B7 N2 O12
• Calculated formula: C3 H13 B7 N2 O12
• Title of publication: Syntheses and structures of a new 2D layered borate and a novel 3D porous-layered aluminoborate.
• Authors of publication: Chen, Chong-An; Pan, Rui; Yang, Guo-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 3750 - 3757
• a: 8.7174 ± 0.0006 Å
• b: 14.5181 ± 0.0011 Å
• c: 10.5302 ± 0.0009 Å
• α: 90°
• β: 101.859 ± 0.007°
• γ: 90°
• Cell volume: 1304.26 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No