Information card for entry 4311227

Structure parameters

• Formula: C29 H58 Cl2 N8 O9 Zn2
• Calculated formula: C29 H58 Cl2 N8 O9 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: 9.5207 ± 0.0004 Å
• b: 12.1629 ± 0.0005 Å
• c: 16.0064 ± 0.0007 Å
• α: 90°
• β: 99.78 ± 0.001°
• γ: 90°
• Cell volume: 1826.59 ± 0.13 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No