Information card for entry 2216986

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquadipyridinecopper(II)]-μ-fumarato]
• Formula: C14 H14 Cu N2 O5
• Calculated formula: C14 H14 Cu N2 O5
• SMILES: [Cu](OC(=O)/C=C/C(=O)[O-])([OH2])([n]1ccccc1)([n]1ccccc1)OC(=O)/C=C/C(=O)O[Cu]([OH2])([n]1ccccc1)[n]1ccccc1
• Title of publication: <i>catena</i>-Poly[[aquadipyridinecopper(II)]-μ-fumarato]
• Authors of publication: Xie, Dong; Ye, Junwei; Lin, Yuan; Ning, Guiling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m91 - m91
• a: 5.6238 ± 0.0006 Å
• b: 15.3174 ± 0.0016 Å
• c: 17.4404 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1502.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes