Information card for entry 2207617

Structure parameters

• Chemical name: μ~2~-Oxalato-κ^2^O,O':κ^2^O'',O'''-bis[aqua(1,10-phenanthroline- κ^2^N,N')copper(II)] dinitrate dihydrate
• Formula: C26 H24 Cu2 N6 O14
• Calculated formula: C26 H24 Cu2 N6 O14
• SMILES: c12c3[n]4cccc3ccc2ccc[n]1[Cu]14([O]=C2C(O1)=[O][Cu]1(O2)([n]2cccc3c2c2c(cc3)ccc[n]12)[OH2])[OH2].N(=O)(=O)[O-].O.N(=O)(=O)[O-].O
• Title of publication: μ~2~-Oxalato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>'''-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] dinitrate dihydrate
• Authors of publication: Zhang, Xiang-Dong; Zhao, Zhen; Sun, Jin-Yu; Ma, Yong-Chao; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2643 - m2645
• a: 7.7792 ± 0.0007 Å
• b: 11.238 ± 0.0011 Å
• c: 17.5795 ± 0.0015 Å
• α: 90°
• β: 107.761 ± 0.004°
• γ: 90°
• Cell volume: 1463.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No