Information card for entry 7207208

Structure parameters

• Formula: C22 H26 Be4 N2 O16
• Calculated formula: C18 H10 Be4 O16
• SMILES: [O-]C(=O)c1cc(C(=O)[O-])cc(c1)C(=O)O.[O-]C(=O)c1cc(C(=O)[O-])cc(c1)C(=O)O.[Be]1[OH][Be][OH][Be][OH][Be][OH]1
• Title of publication: Crystalline beryllium carboxylate frameworks with rutile-type and cubic-C3N4 topologies
• Authors of publication: Kang, Maoping; Luo, Daibing; Luo, Xiuchao; Chen, Ziyi; Lin, Zhien
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 95
• a: 18.9009 ± 0.0005 Å
• b: 18.9009 ± 0.0005 Å
• c: 10.257 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3664.25 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2405
• Weighted residual factors for all reflections included in the refinement: 0.2676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No