Information card for entry 2229168

Structure parameters

• Chemical name: Triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ<i>O</i>)zinc(II)
• Formula: C12 H14 N2 O7 S Zn
• Calculated formula: C12 H14 N2 O7 S Zn
• SMILES: [Zn]1(OS(=O)(=O)[O-])([OH2])([OH2])([OH2])[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)zinc(II)
• Authors of publication: Liu, Hong; Qin, Hui; Zhang, Yun-Jie; Yang, Hong-Wei; Zhang, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m280 - m281
• a: 8.0011 ± 0.0004 Å
• b: 9.6006 ± 0.0004 Å
• c: 19.1606 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1471.83 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes