Information card for entry 2218167

Structure parameters

• Chemical name: <i>mer-</i>Triaqua(1,10-phenanthroline-κ^2^N,N')(sulfato-κ-O)magnesium(II)
• Formula: C12 H14 Mg N2 O7 S
• Calculated formula: C12 H14 Mg N2 O7 S
• SMILES: [Mg]1([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: <i>mer-</i>Triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)magnesium(II)
• Authors of publication: Zhu, Ling; Huang, Jing; Han, Si-Ying; An, Zhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m683
• a: 11.968 ± 0.002 Å
• b: 10.025 ± 0.002 Å
• c: 13.798 ± 0.003 Å
• α: 90°
• β: 113.53 ± 0.03°
• γ: 90°
• Cell volume: 1517.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes