Information card for entry 2012947

Structure parameters

• Chemical name: bis(8-hydroxyquinoline-2-carboxylato-κ^3^O^2^,N,O^8^)nickel(II) trihydrate
• Formula: C20 H18 N2 Ni O9
• Calculated formula: C20 H18 N2 Ni O9
• SMILES: [Ni]1234(OC(=O)c5[n]1c1c(cc5)cccc1[OH]2)OC(=O)c1[n]3c2c(cc1)cccc2[OH]4.O.O.O
• Title of publication: 8-Hydroxyquinaldinic acid and its nickel(II) complex
• Authors of publication: Okabe, Nobuo; Muranishi, Yasunori
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: m475 - m477
• a: 9.237 ± 0.001 Å
• b: 15.865 ± 0.003 Å
• c: 7.2 ± 0.001 Å
• α: 97.63 ± 0.01°
• β: 106.95 ± 0.01°
• γ: 101.9 ± 0.01°
• Cell volume: 966.4 ± 0.3 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No