Information card for entry 4319584

Structure parameters

• Formula: C12 H32 Cl2 N6 O10 Zn2
• Calculated formula: C12 H32 Cl2 N6 O10 Zn2
• SMILES: [Zn]1234[O](CC[N]3(CC[NH2]4)CC[NH2]1)[Zn]134[O]2CC[N]1(CC[NH2]3)CC[NH2]4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Carboxy Ester Hydrolysis Promoted by a Zinc(II) 2-[Bis(2-aminoethyl)amino]ethanol Complex: A New Model for Indirect Activation on the Serine Nucleophile by Zinc(II) in Zinc Enzymes
• Authors of publication: Jiang Xia; Yan Xu; Shu-an Li; Wei-yin Sun; Kai-bei Yu; Wen-xia Tang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2394 - 2401
• a: 14.657 ± 0.002 Å
• b: 11.234 ± 0.002 Å
• c: 28.677 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4721.9 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No