Information card for entry 4348526

Structure parameters

• Common name: K3B3O10H8
• Formula: B3 H8 K3 O10
• Calculated formula: B3 H8 K3 O10
• SMILES: [B]1(O)(OB([O-])O[B](O1)(O)O)O.[K+].[K+].O.[K+].O
• Title of publication: K3B3O4(OH)4·2H2O: A UV Nonlinear Optical Crystal with Isolated [B3O4(OH)4](3-) Anion Groups.
• Authors of publication: Liu, Qiong; Zhang, Xiangyu; Yang, Zhihua; Zhang, Fangfang; Liu, Lili; Han, Jian; Li, Zhi; Pan, Shilie
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8744 - 8749
• a: 13.806 ± 0.004 Å
• b: 7.91 ± 0.002 Å
• c: 9.093 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 993 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No