Information card for entry 2204396

Structure parameters

• Chemical name: Bis[(acetato-κO)bis(2,2'-bipyridine-κ^2^N,N')copper(II)] 4-carboxyphenoxyacetate hexahydrate
• Formula: C53 H56 Cu2 N8 O15
• Calculated formula: C53 H56 Cu2 N8 O15
• SMILES: [Cu]12(OC(=O)C)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[Cu]12(OC(=O)C)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[O-]C(=O)COc1ccc(cc1)C(=O)[O-].O.O.O.O.O.O
• Title of publication: Bis[(acetato-κ<i>O</i>)bis(2,2'-bipyridine-κ^2^<i>N,N</i>')copper(II)] 4-carboxyphenoxyacetate hexahydrate
• Authors of publication: Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1487 - m1489
• a: 14.385 ± 0.002 Å
• b: 14.605 ± 0.002 Å
• c: 14.655 ± 0.002 Å
• α: 86.95 ± 0.03°
• β: 67.22 ± 0.03°
• γ: 70.38 ± 0.03°
• Cell volume: 2663.5 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0934
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes