Information card for entry 7244187

Structure parameters

• Formula: C3 H14 B6 N2 O11
• Calculated formula: C3 H14 B6 N2 O11
• Title of publication: Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates
• Authors of publication: Chen, Chong-An; Yang, Guo-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.5687 ± 0.0006 Å
• b: 15.4864 ± 0.0011 Å
• c: 9.023 ± 0.0008 Å
• α: 90°
• β: 94.159 ± 0.007°
• γ: 90°
• Cell volume: 1194.18 ± 0.16 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No