Information card for entry 2235469

Structure parameters

• Chemical name: (Acetato-κ<i>O</i>)(acetato-κ^2^<i>O</i>,<i>O</i>')[2-(3,5-dimethyl-\ 1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)quinoline-κ<i>N</i>]zinc(II)
• Formula: C18 H19 N3 O4 Zn
• Calculated formula: C18 H19 N3 O4 Zn
• SMILES: [Zn]12([O]=C(O1)C)(OC(=O)C)[n]1n(c(cc1C)C)c1[n]2c2c(cc1)cccc2
• Title of publication: (Acetato-κ<i>O</i>)(acetato-κ^2^<i>O</i>,<i>O</i>')[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)quinoline-κ<i>N</i>]zinc(II)
• Authors of publication: Najib, Muhd. Hidayat bin; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m897 - m898
• a: 7.6586 ± 0.0004 Å
• b: 10.7334 ± 0.0006 Å
• c: 11.5772 ± 0.0004 Å
• α: 69.437 ± 0.004°
• β: 81.546 ± 0.003°
• γ: 72.736 ± 0.004°
• Cell volume: 849.93 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes