Information card for entry 2219061

Structure parameters

• Chemical name: Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')magnesium(II) bis[(2,4-dichlorophenyl)acetate]
• Formula: C28 H26 Cl4 Mg N2 O8
• Calculated formula: C28 H26 Cl4 Mg N2 O8
• SMILES: c1(c(cc(cc1)Cl)Cl)CC(=O)[O-].[Mg]1([n]2cccc3c2c2c(ccc[n]12)cc3)([OH2])([OH2])([OH2])[OH2].c1(c(cc(cc1)Cl)Cl)CC(=O)[O-]
• Title of publication: Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')magnesium(II) bis[(2,4-dichlorophenyl)acetate]
• Authors of publication: Hao, Xiao-Min; Gu, Chang-Sheng; Song, Weng-Dong; Liu, Ji-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1052
• a: 28.926 ± 0.001 Å
• b: 14.0447 ± 0.0006 Å
• c: 7.6074 ± 0.0003 Å
• α: 90°
• β: 94.785 ± 0.001°
• γ: 90°
• Cell volume: 3079.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes