Information card for entry 4302656

Structure parameters

• Formula: C46 H32 N8 O4 Zn2
• Calculated formula: C46 H32 N8 O4 Zn2
• Title of publication: Efficient Catalytic Phosphate Ester Cleavage by Binuclear Zinc(II) Pyrazolate Complexes as Functional Models of Metallophosphatases
• Authors of publication: Larysa V. Penkova; Anna Maciąg; Elena V. Rybak-Akimova; Matti Haukka; Vadim A. Pavlenko; Turganbay S. Iskenderov; Henryk Kozłowski; Franc Meyer; Igor O. Fritsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6960 - 6971
• a: 13.8426 ± 0.0009 Å
• b: 28.9003 ± 0.0016 Å
• c: 14.5237 ± 0.0009 Å
• α: 90°
• β: 100.956 ± 0.004°
• γ: 90°
• Cell volume: 5704.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.182
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No