Information card for entry 4336137

Structure parameters

• Chemical name: [Mg(H2O)6][O2C-2,6-(t-BuCONH)2C6H3]2-H2O
• Formula: C34 H60 Mg N4 O15
• Calculated formula: C34 H60 Mg N4 O15
• 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: 12.241 ± 0.003 Å
• b: 15.512 ± 0.004 Å
• c: 27.609 ± 0.007 Å
• α: 90°
• β: 126.454 ± 0.012°
• γ: 90°
• Cell volume: 4217 ± 2 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: 0.0652
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No