Information card for entry 2009139

Structure parameters

• Chemical name: phenanthroline‒tetraaqua‒zinc(II) sulfate dihydrate
• Formula: C12 H20 N2 O10 S Zn
• Calculated formula: C12 H20 N2 O10 S Zn
• SMILES: [Zn]1([OH2])([OH2])([OH2])([OH2])[n]2cccc3ccc4ccc[n]1c4c23.S(=O)(=O)([O-])[O-].O.O
• Title of publication: Tetraaqua(1,10-phenanthroline)zinc(II) sulfate dihydrate
• Authors of publication: Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1815 - 1817
• a: 8.906 ± 0.001 Å
• b: 18.295 ± 0.002 Å
• c: 21.855 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3561 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 18 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections: 0.841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No