Information card for entry 2218674

Structure parameters

• Chemical name: Dibromidobis(4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone)zinc(II)
• Formula: C22 H24 Br2 N4 O4 Zn
• Calculated formula: C22 H24 Br2 N4 O4 Zn
• SMILES: [Zn](Br)(Br)([O]=c1n(n(c(c1O)C)C)c1ccccc1)[O]=c1n(n(c(c1O)C)C)c1ccccc1
• Title of publication: Dibromidobis(4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone)zinc(II)
• Authors of publication: Lemoine, Pascale; Viossat, Bernard; Brion, Jean Daniel; Bekaert, Alain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m891 - m892
• a: 9.824 ± 0.003 Å
• b: 9.824 ± 0.003 Å
• c: 26.12 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2520.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes