Information card for entry 7028673

Structure parameters

• Formula: B12 Cl F6 Li Na2 O24 Sr8
• Calculated formula: B12 Cl F6 Li Na2 O24 Sr8
• SMILES: B1([O-])O[B]23[O]4[B]5(OB([O-])O[B]6([O]7[B]8(OB(O[B]9([O]%10[B](O1)([O]2[Li]47%10)OB([O-])O9)O8)[O-])OB([O-])O6)O5)OB([O-])O3.[Cl-].[Na+].[Sr+2].[F-].[Sr+2].[F-].[Sr+2].[F-].[Sr+2].[F-].[Sr+2].[Na+].[Sr+2].[Sr+2].[F-].[Sr+2].[F-]
• Title of publication: New type of complex alkali and alkaline earth metal borates with isolated (B12O24)(12-) anionic group.
• Authors of publication: Wu, Hongping; Yu, Hongwei; Pan, Shilie; Jiao, Anqing; Han, Jian; Wu, Kui; Han, Shujuan; Li, Hongyi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4886 - 4891
• a: 9.677 ± 0.004 Å
• b: 9.677 ± 0.004 Å
• c: 24.3 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1971 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No