Information card for entry 4340738

Structure parameters

• Formula: C50 H61 F6 N9 O11 P2 Zn2
• Calculated formula: C50 H61 F6 N9 O11 P2 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: 14.5695 ± 0.0006 Å
• b: 23.3831 ± 0.0008 Å
• c: 17.1987 ± 0.0005 Å
• α: 90°
• β: 107.817 ± 0.004°
• γ: 90°
• Cell volume: 5578.2 ± 0.4 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: 0.1115
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No