Information card for entry 4311228

Structure parameters

• Formula: C31 H67 Cl2 N8 O12 P Zn2
• Calculated formula: C31 H67 Cl2 N8 O12 P 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: 13.064 ± 0.003 Å
• b: 13.314 ± 0.003 Å
• c: 49.814 ± 0.01 Å
• α: 90°
• β: 93.19 ± 0.03°
• γ: 90°
• Cell volume: 8651 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No