Information card for entry 4115610

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 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2034
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No