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CIF Information Card
Information card for 4115610
4115609 << 4115610 >> 4115611Preview
|
Coordinates |
4115610.cif |
Structure parameters
| Formula | - C25 H39 Cl2 N5 O12 Zn2 - |
| Calculated formula | - C25 H39 Cl2 N5 O12 Zn2 - |
| Title of publication | Intermediate in β-Lactam Hydrolysis Catalyzed by a Dinuclear Zinc(II) Complex: Relevance to the Mechanism of Metallo-β-lactamase |
| Authors of publication | Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 6555 - 6563 |
| a | 11.8183 ± 0.0004 Å |
| b | 12.3733 ± 0.0004 Å |
| c | 14.3086 ± 0.0003 Å |
| α | 104.742 ± 0.002° |
| β | 113.604 ± 0.002° |
| γ | 100.713 ± 0.002° |
| Cell volume | 1753.7 ± 0.1 Å3 |
| Cell temperature | 188 ± 2 K |
| Ambient diffraction temperature | 188 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.2034 |
| Residual factor for observed reflections | 0.0867 |
| Weighted residual factors for the observed reflections | 0.2211 |
| Weighted residual factors for all reflections included in the refinement | 0.2696 |
| Goodness-of-fit parameter for observed reflections | 0.903 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |