Information card for entry 2014746

Structure parameters

• Chemical name: poly[[aquacopper(II)]-μ~3~-2,2'-bipyridyl-3,3'-dicarboxylato-κ^4^N,N':O:O' dihydrate]
• Formula: C12 H12 Cu N2 O7
• Calculated formula: C12 H6 Cu N2 O7
• Title of publication: A novel copper(II) coordination polymer with 2,2'-bipyridyl-3,3'-dicarboxylic acid
• Authors of publication: Zhao, Bao-Zhong; Hao, Xiang-Rong; Han, Zhan-Gang; Fu, Qiang; Chen, Ya-Guang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m48 - m50
• a: 6.768 ± 0.0009 Å
• b: 19.989 ± 0.003 Å
• c: 9.4923 ± 0.0012 Å
• α: 90°
• β: 90.717 ± 0.002°
• γ: 90°
• Cell volume: 1284.1 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes