Information card for entry 4336132

Structure parameters

• Chemical name: [Mg(O2C-2-CH3CONHC6H4)2(H2O)4]
• Formula: C18 H24 Mg N2 O10
• Calculated formula: C18 H24 Mg N2 O10
• SMILES: C(=O)(c1c(NC(=O)C)cccc1)O[Mg]([OH2])([OH2])([OH2])([OH2])OC(=O)c1c(NC(=O)C)cccc1
• 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: 6.7274 ± 0.0009 Å
• b: 9.0901 ± 0.001 Å
• c: 9.8652 ± 0.0012 Å
• α: 111.785 ± 0.002°
• β: 102.01 ± 0.003°
• γ: 95.572 ± 0.003°
• Cell volume: 537.75 ± 0.11 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No