Information card for entry 7209289

Structure parameters

• Formula: B6 Cl2 H10 Na13 O47 P11
• Calculated formula: B6 Cl2 Na13 O47 P11
• Title of publication: A novel chlorine-containing borophosphate based on (4,3)-connected 3-D borophosphate anion [B6P11O42(OH)2]13− with unique B : P ratio and 22-tetrahedral cages
• Authors of publication: Feng, Yuquan; Li, Min; Shi, Hengzhen; Huang, Qunzeng; Qiu, Dongfang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2048
• a: 20.479 ± 0.007 Å
• b: 20.479 ± 0.007 Å
• c: 20.479 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8589 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 196
• Hermann-Mauguin space group symbol: F 2 3
• Hall space group symbol: F 2 2 3
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No