Information card for entry 4340734

Structure parameters

• Formula: C45 H55 F6 N8 O6 P Zn2
• Calculated formula: C45 H55 F6 N8 O6 P Zn2
• Title of publication: Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models.
• Authors of publication: Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9036 - 9051
• a: 16.8815 ± 0.0006 Å
• b: 13.5366 ± 0.0005 Å
• c: 21.8837 ± 0.0009 Å
• α: 90°
• β: 105.077 ± 0.004°
• γ: 90°
• Cell volume: 4828.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No