Information card for entry 4116082

Structure parameters

• Formula: C20 H38 N6 O8 Zn2
• Calculated formula: C20 H38 N6 O8 Zn2
• SMILES: [Zn]1234([O](C)[Zn]567([N](Cc9cc(cc(C[N]2(CC[N]1(C)C)C)c9[O]37)C)(C)CC[N]6(C)C)ON(=O)=[O]5)ON(=O)=[O]4
• 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: 10.4432 ± 0.0004 Å
• b: 8.7916 ± 0.0004 Å
• c: 29.4646 ± 0.0012 Å
• α: 90°
• β: 97.298 ± 0.001°
• γ: 90°
• Cell volume: 2683.3 ± 0.19 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No