Information card for entry 4500907

Structure parameters

• Formula: B11 Li6 O22 Rb5
• Calculated formula: B11 Li6 O22 Rb5
• SMILES: B1([O-])OB([O-])O[B]2(O1)OB([O-])O[B]1(OB([O-])O[B]3(OB([O-])O[B]4(OB(OB([O-])O4)[O-])O3)O1)O2.[Li+].[Li+].[Li+].[Rb+].[Rb+].[Rb+].[Li+].[Li+].[Li+].[Rb+].[Rb+]
• Title of publication: A New Lithium Rubidium Borate Li6Rb5B11O22with Isolated B11O22Building Blocks
• Authors of publication: Yang, Yun; Pan, Shilie; Han, Jian; Hou, Xueling; Zhou, Zhongxiang; Zhao, Wenwu; Chen, Zhaohui; Zhang, Min
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3912
• a: 11.6252 ± 0.0005 Å
• b: 7.101 ± 0.0003 Å
• c: 13.7442 ± 0.0005 Å
• α: 90°
• β: 106.871 ± 0.003°
• γ: 90°
• Cell volume: 1085.76 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No