Information card for entry 4341041

Structure parameters

• Formula: B20 Be8 Ca6 F2 Li2 Na8 O48
• Calculated formula: B20 Be8 Ca6 F2 Li2 Na8 O48
• SMILES: B([O-])([O-])[O-].[Be+2].[F-].[Li+].[Na+].[Be+2].[F-].[Li+].[Na+].[O]1[B]23O[B]4(OB1[O-])O[B]1(O[B]5(O[B]6(O[B](O6)(OB(O2)[O-])OB([O-])O3)OB([O-])O5)OB([O-])O1)OB([O-])O4.[Ca+2].[Ca+2].[Na+].[Ca+2].[Ca+2].[Na+].B([O-])([O-])[O-].B([O-])([O-])[O-].[Na+].[Na+].B([O-])([O-])[O-].B([O-])([O-])[O-].[Be+2].[Na+].[Be+2].[Na+].B([O-])([O-])[O-].[O-]B([O-])[O-].B([O-])([O-])[O-].[Be+2].[Be+2].[Ca+2].[Be+2].[Be+2].[Ca+2]
• Title of publication: [In Process Citation].
• Authors of publication: Luo, Siyang; Yao, Wenjiao; Gong, Pifu; Yao, Jiyong; Lin, Zheshuai; Chen, Chuangtian
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8197 - 8199
• a: 9.2851 ± 0.0011 Å
• b: 9.2851 ± 0.0011 Å
• c: 38.042 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2840.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No