Information card for entry 2202127

Structure parameters

• Chemical name: Triaqua(1,10-phenanthroline)sulfatocadmium(II)
• Formula: C12 H14 Cd N2 O7 S
• Calculated formula: C12 H14 Cd N2 O7 S
• SMILES: [Cd]1([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Triaqua(1,10-phenanthroline)sulfatocadmium(II)
• Authors of publication: Li, Xing; Cao, Rong; Bi, Wenhua; Sun, Daofeng; Hong, Maochun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m230 - m231
• a: 8.162 ± 0.0005 Å
• b: 9.7458 ± 0.0006 Å
• c: 19.5727 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1556.91 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes