Information card for entry 7209292

Structure parameters

• Formula: C10 H6 Be4 O12
• Calculated formula: C10 H6 Be4 O12
• SMILES: c1c(C(=O)[O-])c(cc(C(=O)[O-])c1C(=O)[O-])C(=O)[O-].[OH-].[Be+2].[OH-].[OH-].[OH-].[Be+2].[Be+2].[Be+2]
• Title of publication: Crystalline beryllium carboxylate frameworks containing inorganic chains of BeO4 tetrahedra
• Authors of publication: Kang, Maoping; Luo, Daibing; Lin, Zhien; Thiele, Günther; Dehnen, Stefanie
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 1845
• a: 10.3705 ± 0.0004 Å
• b: 11.2422 ± 0.0006 Å
• c: 18.403 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2145.55 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No