Information card for entry 2011060

Structure parameters

• Chemical name: Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
• Formula: C56 H36 Cl2 Cu2 N8 O12
• Calculated formula: C56 H36 Cl2 Cu2 N8 O12
• SMILES: c1ccc2ccc3ccc[n]4[Cu]5([n]1c2c34)([n]1cccc2ccc3ccc[n]5c3c12)OC(=O)c1ccc(C(=O)O[Cu]23([n]4cccc5ccc6ccc[n]2c6c45)[n]2cccc4ccc5ccc[n]3c5c24)cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: μ-Terephthalato-bis[bis(1,10-phenanthroline)copper(I)] diperchlorate
• Authors of publication: Sun, Daofeng; Cao, Rong; Liang, Yucang; Hong, Maochun; Su, Weiping; Weng, Jiabao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e240 - e241
• a: 21.078 ± 0.0004 Å
• b: 15.0708 ± 0.0004 Å
• c: 15.9811 ± 0.0003 Å
• α: 90°
• β: 102.823 ± 0.001°
• γ: 90°
• Cell volume: 4949.98 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No