Information card for entry 7215058

Structure parameters

• Formula: C8 H28 Be4 N2 O24 P6
• Calculated formula: C8 H28 Be4 N2 O24 P6
• SMILES: C1C[N+](CC[N+]1(C)C)(C)C.OP(=O)(O)[O-].[O-]P(=O)(O)[O-].O=P([O-])(O)[O-].[Be+2].[Be+2].[O-]P(=O)(O)O.[O-]P(=O)([O-])O.[O-]P(=O)([O-])O.[Be+2].[Be+2]
• Title of publication: Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation
• Authors of publication: Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 3296
• a: 9.3591 ± 0.0006 Å
• b: 9.3128 ± 0.0005 Å
• c: 15.1655 ± 0.0003 Å
• α: 90°
• β: 92.505 ± 0.005°
• γ: 90°
• Cell volume: 1320.55 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No