Information card for entry 4116085

Structure parameters

• Formula: C19 H35 N7 O10 Zn2
• Calculated formula: C19 H35 N7 O10 Zn2
• SMILES: [Zn]1234([O](N(=O)=O)[Zn]567([O]1c1c(C[N]6(CC[N]5(C)C)C)cc(cc1C[N]3(C)CC[N]4(C)C)C)ON(=O)=[O]7)ON(=[O]2)=O
• Title of publication: Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases
• Authors of publication: Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 6411 - 6422
• a: 25.0187 ± 0.0003 Å
• b: 25.0187 ± 0.0003 Å
• c: 8.6641 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5423.17 ± 0.16 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No