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Information card for entry 4122793
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Coordinates | 4122793.cif |
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Original paper (by DOI) | HTML |
Chemical name | [Zn(H2O)4{O2CC6H4NHCOC(C6H4-t-Bu)3}2]-7(dioxane) |
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Formula | C106 H152 N2 O24 Zn |
Calculated formula | C106 H152 N2 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 | 11.0889 ± 0.0012 Å |
b | 14.4891 ± 0.0016 Å |
c | 16.502 ± 0.002 Å |
α | 84.685 ± 0.006° |
β | 82.201 ± 0.006° |
γ | 85.359 ± 0.006° |
Cell volume | 2609.2 ± 0.5 Å3 |
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 | 0.2576 |
Residual factor for significantly intense reflections | 0.0846 |
Weighted residual factors for significantly intense reflections | 0.1152 |
Weighted residual factors for all reflections included in the refinement | 0.1484 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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