Information card for entry 2208276

Structure parameters

• Chemical name: catena-Poly[[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-μ-fumarato]
• Formula: C16 H16 Cu N2 O5
• Calculated formula: C16 H16 Cu N2 O5
• SMILES: [Cu]1([OH2])([n]2c(c3[n]1ccc(c3)C)cc(cc2)C)OC(=O)/C=C/C(=O)O[Cu]1([OH2])([n]2c(c3[n]1ccc(c3)C)cc(cc2)C)OC(=O)/C=C/C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-μ-fumarato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>'''-[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-μ-fumarato-κ<i>O</i>:κ<i>O</i>']
• Authors of publication: Dong, Gui-Ying; Cui, Guang-Hua; Lin, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m628 - m630
• a: 7.337 ± 0.003 Å
• b: 10.767 ± 0.005 Å
• c: 10.967 ± 0.005 Å
• α: 93.602 ± 0.007°
• β: 104.926 ± 0.007°
• γ: 104.64 ± 0.007°
• Cell volume: 802.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes