Information card for entry 2200318

Structure parameters

• Formula: C18 H16 Cu N2 O4
• Calculated formula: C18 H16 Cu N2 O4
• SMILES: [Cu]12(Oc3cccc4ccc[n]1c34)(Oc1cccc3ccc[n]2c13)([OH2])[OH2]
• Title of publication: Bisaquabis(8-hydroxyquinolinato-<i>N</i>,<i>O</i>)copper(II)
• Authors of publication: Okabe, Nobuo; Saishu, Hiroko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: m251 - m252
• a: 11.425 ± 0.003 Å
• b: 5.542 ± 0.003 Å
• c: 12.95 ± 0.004 Å
• α: 90°
• β: 106.39 ± 0.02°
• γ: 90°
• Cell volume: 786.6 ± 0.5 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0327
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes