Information card for entry 2205097

Structure parameters

• Chemical name: μ-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] diperchlorate dihydrate
• Formula: C48 H40 Cl2 Cu2 N8 O14
• Calculated formula: C48 H40 Cl2 Cu2 N8 O14
• SMILES: c1cccc2[n]1[Cu]1([n]3ccccc3c3[n]1cccc3)(OC(=O)c1ccc(C(=O)O[Cu]34([n]5ccccc5c5cccc[n]35)[n]3ccccc3c3[n]4cccc3)cc1)[n]1c2cccc1.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O
• Title of publication: μ-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] bis(perchlorate) dihydrate
• Authors of publication: Sai-Zhen Yang; Xin-Hua Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m356 - m357
• a: 9.9505 ± 0.0014 Å
• b: 11.1049 ± 0.0014 Å
• c: 12.1187 ± 0.0014 Å
• α: 74.621 ± 0.002°
• β: 66.75 ± 0.002°
• γ: 89.352 ± 0.002°
• Cell volume: 1179.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0496
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No