Information card for entry 2204106

Structure parameters

• Chemical name: [(p-phenylenedioxy)diacetato]bis(2,2'-bipyridine)copper(II) tetrahydrate
• Formula: C30 H32 Cu N4 O10
• Calculated formula: C30 H32 Cu N4 O10
• SMILES: [Cu]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)OC(=O)COc1ccc(OCC(=O)[O-])cc1.O.O.O.O
• Title of publication: A two-dimensional hydrogen-bonding supramolecular architecture of bis(2,2'-bipyridine)[(<i>p</i>-phenylenedioxy)diacetato]copper(II) tetrahydrate
• Authors of publication: Du, Miao; Cai, Hua; Zhao, Xiao-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1139 - m1141
• a: 14.46 ± 0.004 Å
• b: 10.112 ± 0.003 Å
• c: 20.394 ± 0.005 Å
• α: 90°
• β: 91.459 ± 0.005°
• γ: 90°
• Cell volume: 2981 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1331
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes