Information card for entry 2205941

Structure parameters

• Chemical name: Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)] terephthalate octahydrate
• Formula: C32 H42 Cu2 N4 O16
• Calculated formula: C32 H42 Cu2 N4 O16
• SMILES: c12[n]3[Cu]4([n]5c2c(ccc1ccc3)ccc5)([OH2])[OH][Cu]1([n]2c3c5c(ccc[n]15)ccc3ccc2)([OH]4)[OH2].O=C([O-])c1ccc(C(=O)[O-])cc1.O.O.O.O.O.O.O.O
• Title of publication: Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] terephthalate octahydrate
• Authors of publication: Zhang, Hong-Mei; Lu, Li-Ping; Feng, Si-Si; Qin, Shi-Dong; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1027 - m1029
• a: 9.295 ± 0.004 Å
• b: 10.639 ± 0.005 Å
• c: 11.258 ± 0.005 Å
• α: 114.603 ± 0.008°
• β: 112.54 ± 0.008°
• γ: 95.065 ± 0.008°
• Cell volume: 893.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1805
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes