Information card for entry 2212196

Structure parameters

• Chemical name: Triaqua(1,10-phenanthroline)sulfatocopper(II) monohydrate
• Formula: C12 H16 Cu N2 O8 S
• Calculated formula: C12 H16 Cu N2 O8 S
• SMILES: [Cu]1([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])[n]2cccc3ccc4ccc[n]1c4c23.O
• Title of publication: Triaqua(1,10-phenanthroline)sulfatocopper(II) monohydrate
• Authors of publication: An, Zhe; Wu, Yan-Li; Lin, Feng; Zhu, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m477 - m478
• a: 7.9908 ± 0.0007 Å
• b: 8.5918 ± 0.0007 Å
• c: 11.5799 ± 0.0009 Å
• α: 91.934 ± 0.001°
• β: 92.149 ± 0.001°
• γ: 104.319 ± 0.001°
• Cell volume: 769.02 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes