Information card for entry 7114379

Structure parameters

• Formula: C19 H31 N3 O8 Zn2
• Calculated formula: C19 H31 N3 O8 Zn2
• SMILES: [Zn]1234([O]=C(O[Zn]([O]=C(O1)C)([O]3NC(=[O]2)c1ccccc1)OC(=O)C)C)[N](C)(C)CC[N]4(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: 8.9976 ± 0.0011 Å
• b: 15.9235 ± 0.0019 Å
• c: 33.533 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4804.4 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No