Information card for entry 7006649

Structure parameters

• Formula: C39.5 H60.5 Cl3 N8.5 O10 Zn2
• Calculated formula: C39 H60.5 Cl3.18 N8.5 O10 Zn2
• Title of publication: Thioester hydrolysis reactivity of zinc hydroxide complexes: investigating reactivity relevant to glyoxalase II enzymes.
• Authors of publication: Berreau, Lisa M.; Saha, Amrita; Arif, Atta M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 183 - 192
• a: 11.4472 ± 0.0007 Å
• b: 11.4472 ± 0.0007 Å
• c: 37.628 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4930.7 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No