Information card for entry 7114380

Structure parameters

• Formula: C10 H22 N2 O4 Zn
• Calculated formula: C10 H22 N2 O4 Zn
• SMILES: C1(=[O][Zn]23(O1)([N](C)(C)CC[N]2(C)C)OC(=[O]3)C)C
• Title of publication: A novel dizinc bridged hydroxamate model for hydroxamate inhibited zinc hydrolasesAbbreviations: OAc = CH3CO2–, BHA = benzohydroxamic acid, BA=deprotonated hydroxamic acid, tmen = tetramethylethylenediamine.
• Authors of publication: Brown, David A.; Errington, William; Fitzpatrick, Noel J.; Glass, William K.; Kemp, Terence J.; Nimir, Hassan; Ryan, Áine T.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 1210
• a: 14.9905 ± 0.0019 Å
• b: 7.3672 ± 0.0014 Å
• c: 12.5105 ± 0.0017 Å
• α: 90°
• β: 97.015 ± 0.003°
• γ: 90°
• Cell volume: 1371.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No