Information card for entry 4336134

Structure parameters

• Chemical name: [Mg(dmf)2(H2O)4][O2C-2,6-(CH3CONH)2C6H3]2
• Formula: C28 H44 Mg N6 O14
• Calculated formula: C28 H44 Mg N6 O14
• Title of publication: Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds
• Authors of publication: Taka-aki Okamura; Junko Nakagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10812 - 10824
• a: 14.2851 ± 0.0014 Å
• b: 5.2966 ± 0.0005 Å
• c: 23.179 ± 0.002 Å
• α: 90°
• β: 100.963 ± 0.007°
• γ: 90°
• Cell volume: 1721.8 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.1236
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No