Information card for entry 7200331

Structure parameters

• Common name: Copper(ii) oxybis(benzoate)
• Formula: C16 H14 Cu O6 S
• Calculated formula: C16 H14 Cu O6 S
• Title of publication: Syntheses, structures and sorption properties of two framework-isomeric porous copper-coordination polymers
• Authors of publication: Xue, Dong-Xu; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 183
• a: 12.0877 ± 0.0015 Å
• b: 16.227 ± 0.002 Å
• c: 9.2338 ± 0.0011 Å
• α: 90°
• β: 109.345 ± 0.002°
• γ: 90°
• Cell volume: 1708.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No