Information card for entry 4324273

Structure parameters

• Formula: C46 H84 N24 O4 S4 Zn4
• Calculated formula: C46 H84 N24 O4 S4 Zn4
• Title of publication: Metallo-β-lactamase-Catalyzed Hydrolysis of Cephalosporins: Some Mechanistic Insights into the Effect of Heterocyclic Thiones on Enzyme Activity
• Authors of publication: A. Tamilselvi; Govindasamy Mugesh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 749 - 756
• a: 11.6876 ± 0.0003 Å
• b: 26.0363 ± 0.0007 Å
• c: 11.0796 ± 0.0003 Å
• α: 90°
• β: 91.984 ± 0.001°
• γ: 90°
• Cell volume: 3369.52 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No