Information card for entry 2207285

Structure parameters

• Chemical name: Tetraaquabis(4,4-bipyridine)copper(II) diperchlorate bipyridine tetrasolvate
• Formula: C60 H56 Cl2 Cu N12 O12
• Calculated formula: C60 H56 Cl2 Cu N12 O12
• SMILES: n1ccc(c2ccncc2)cc1.n1ccc(c2ccncc2)cc1.[O-]Cl(=O)(=O)=O.[Cu]([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])([OH2])[OH2].n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.[O-]Cl(=O)(=O)=O
• Title of publication: Tetraaquabis(4,4-bipyridine)copper(II) bis(perchlorate) bipyridine tetrasolvate
• Authors of publication: Huan-Li Dong; Li Xu; Qing-Yan Liu; Rui-Li Sang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2340 - m2342
• a: 7.8728 ± 0.0005 Å
• b: 14.1856 ± 0.0002 Å
• c: 14.8321 ± 0.0004 Å
• α: 63.729 ± 0.008°
• β: 88.073 ± 0.01°
• γ: 81.464 ± 0.01°
• Cell volume: 1467.95 ± 0.15 ų
• Cell temperature: 295.15 K
• Ambient diffraction temperature: 295.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes