Information card for entry 4122792

Structure parameters

• Chemical name: [{[(t-BuC6H4)3CCONH](n-BuCONH)C6H4COO}2Zn(H2O)4]-6(dioxane)
• Formula: C112 H162 N4 O24 Zn
• Calculated formula: C112 H162 N4 O24 Zn
• 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: 26.9772 ± 0.0018 Å
• b: 25.2813 ± 0.0005 Å
• c: 16.7103 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11396.7 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No