Information card for entry 2011146

Structure parameters

• Chemical name: Tri-aqua(zinc(II) 1,10-phenanthroline sulfate), hydrate
• Formula: C12 H16 N2 O8 S Zn
• Calculated formula: C12 H16 N2 O8 S Zn
• SMILES: [Zn]1([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])[n]2cccc3ccc4ccc[n]1c4c23.O
• Title of publication: Three new Zn^II^ sulfate complexes
• Authors of publication: Harvey, Miguel; Baggio, Sergio; Mombrú, Alvaro; Baggio, Ricardo; Tri-aqua(zinc(II) 1,10-phenanthroline sulfate), hydrate
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 771 - 774
• a: 8.641 ± 0.003 Å
• b: 11.6 ± 0.003 Å
• c: 8.046 ± 0.001 Å
• α: 92.11°
• β: 103.77 ± 0.03°
• γ: 92.06°
• Cell volume: 782 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes