Information card for entry 4311225

Structure parameters

• Formula: C39 H80 Cl2 N13 O20 P Zn4
• Calculated formula: C39 H66 Cl2 N13 O20.22 P Zn4
• 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: 17.586 ± 0.004 Å
• b: 14.211 ± 0.003 Å
• c: 12.943 ± 0.003 Å
• α: 90°
• β: 109.96 ± 0.03°
• γ: 90°
• Cell volume: 3040.3 ± 1.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No