Information card for entry 2227917

Structure parameters

• Chemical name: Bis(2,2'-bipyridine)(2-hydroxy-2,2-diphenylacetato)copper(II) nitrate dihydrate
• Formula: C34 H31 Cu N5 O8
• Calculated formula: C34 H31 Cu N5 O8
• SMILES: [Cu]12(OC(=O)C(O)(c3ccccc3)c3ccccc3)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.O=N(=O)[O-].O.O
• Title of publication: Bis(2,2'-bipyridine)(2-hydroxy-2,2-diphenylacetato)copper(II) nitrate dihydrate
• Authors of publication: Wang, Xiao-Jun; Zheng, Chun; Mai, Shao-Wei; Xu, Xuan; Luo, Yi-Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1245
• a: 10.612 ± 0.002 Å
• b: 25.758 ± 0.006 Å
• c: 12.322 ± 0.003 Å
• α: 90°
• β: 108.22 ± 0.003°
• γ: 90°
• Cell volume: 3199.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes