Information card for entry 4311226

Structure parameters

• Formula: C31 H70 Cl2 N8 O11 Zn2
• Calculated formula: C31 H69 Cl2 N8 O11 Zn2
• Title of publication: Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases
• Authors of publication: Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4189 - 4202
• a: 19.1705 ± 0.001 Å
• b: 18.2978 ± 0.001 Å
• c: 48.448 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16994.5 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No