Information card for entry 2231112

Structure parameters

• Chemical name: Diaquatetrakis(dimethylformamide-κ<i>O</i>)magnesium dichloride
• Formula: C12 H32 Cl2 Mg N4 O6
• Calculated formula: C12 H32 Cl2 Mg N4 O6
• SMILES: [Cl-].[Mg]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([OH2])[OH2].[Cl-]
• Title of publication: Redetermination of diaquatetrakis(dimethylformamide-κ<i>O</i>)magnesium dichloride
• Authors of publication: Reiss, Guido J.; Boldog, Ishtvan; Janiak, Christoph
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1109 - m1110
• a: 8.0284 ± 0.0003 Å
• b: 8.0748 ± 0.0003 Å
• c: 8.8373 ± 0.0004 Å
• α: 90.803 ± 0.003°
• β: 91.33 ± 0.003°
• γ: 111.563 ± 0.004°
• Cell volume: 532.51 ± 0.04 ų
• Cell temperature: 113 ± 1 K
• Ambient diffraction temperature: 113 ± 1 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: 0.0221
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes