Information card for entry 2203890

Structure parameters

• Chemical name: Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)] dinitrate hexahydrate
• Formula: C24 H34 Cu2 N6 O16
• Calculated formula: C24 H34 Cu2 N6 O16
• SMILES: c12c3c4ccc1ccc[n]2[Cu]1([n]3ccc4)([OH2])[OH][Cu]2([n]3c4c5c(ccc[n]25)ccc4ccc3)([OH]1)[OH2].N(=O)(=O)[O-].O.O.O.N(=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)] dinitrate hexahydrate
• Authors of publication: Li-Ping, Lu; Qin, Shi-Dong; Yang, Pin; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m950 - m952
• a: 8.078 ± 0.002 Å
• b: 9.604 ± 0.002 Å
• c: 10.48 ± 0.003 Å
• α: 81.145 ± 0.003°
• β: 88.341 ± 0.004°
• γ: 75.731 ± 0.003°
• Cell volume: 778.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes