Information card for entry 2211845

Structure parameters

• Chemical name: Diethanolbis[4-(2-furoyl)-3-methyl-1-phenyl-1H-pyrazol-5-onato]zinc(II)
• Formula: C34 H34 N4 O8 Zn
• Calculated formula: C34 H34 N4 O8 Zn
• SMILES: c1ccc(C2c3c(n(nc3C)c3ccccc3)O[Zn]3([O]=2)([OH]CC)([O]=C(c2c(n(nc2C)c2ccccc2)O3)c2ccco2)[OH]CC)o1
• Title of publication: Diethanolbis[4-(2-furoyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-onato]zinc(II)
• Authors of publication: Zhang, Heng-Qiang; Li, Jin-Zhou; Gao, Shan; Zhang, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m165 - m166
• a: 15.366 ± 0.003 Å
• b: 9.2799 ± 0.0019 Å
• c: 22.879 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3262.4 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes