Information card for entry 2208986

Structure parameters

• Chemical name: Poly[[diaqua-μ-1,2-benzene-1,2-dicarboxylato-μ-4,4'-bipyridinecopper(II)] dihydrate]
• Formula: C18 H20 Cu N2 O8
• Calculated formula: C18 H20 Cu N2 O8
• Title of publication: Poly[[diaqua-μ-1,2-benzene-1,2-dicarboxylato-μ-4,4'-bipyridine-copper(II)] dihydrate]: a two-dimensional copper(II) polymer
• Authors of publication: Xu, Han; Sun, Ran; Li, Yi-Zhi; Bai, Jun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1156 - m1158
• a: 7.6963 ± 0.0006 Å
• b: 11.1028 ± 0.0008 Å
• c: 12.9739 ± 0.0008 Å
• α: 90°
• β: 123.707 ± 0.003°
• γ: 90°
• Cell volume: 922.25 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes