Information card for entry 4122791

Structure parameters

• Chemical name: [{(t-BuC6H4)3CCONHC6H4COO}2Mg(H2O)4]-7(dioxane)
• Formula: C106 H152 Mg N2 O24
• Calculated formula: C106 H152 Mg N2 O24
• Title of publication: Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.
• Authors of publication: Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 42
• Pages of publication: 14639 - 14641
• a: 11.074 ± 0.003 Å
• b: 16.485 ± 0.005 Å
• c: 28.872 ± 0.009 Å
• α: 84.653 ± 0.006°
• β: 85.433 ± 0.006°
• γ: 81.963 ± 0.006°
• Cell volume: 5184 ± 3 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: 0.213
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No