Information card for entry 2019097

Structure parameters

• Chemical name: Diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)
• Formula: C18 H16 N2 O4 Zn
• Calculated formula: C18 H16 N2 O4 Zn
• SMILES: c1ccc2cccc3c2[n]1[Zn]1([n]2cccc4cccc(c24)O1)(O3)([OH2])[OH2]
• Title of publication: Psuedosymmetry and pseudomerodry or nonmerohedral twinning for the known structure of diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)
• Authors of publication: Varelas, Georgios; Salifoglou, Athanasios; Psycharis, Vassilis
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: 868 - 871
• a: 11.1132 ± 0.0004 Å
• b: 5.4109 ± 0.0002 Å
• c: 13.1888 ± 0.0005 Å
• α: 90°
• β: 106.37 ± 0.002°
• γ: 90°
• Cell volume: 760.92 ± 0.05 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes