Information card for entry 2200411

Structure parameters

• Formula: C24 H32 N2 Ni O10
• Calculated formula: C24 H32 N2 Ni O10
• SMILES: [Ni]12(OC(=O)c3ccc4ccccc4[n]13)(OC(=O)c1ccc3ccccc3[n]12)([OH2])[OH2].O.OCC.O.OCC
• Title of publication: <i>trans</i>-Diaquabis(quinoline-2-carboxylato-<i>N</i>,<i>O</i>)nickel(II)‒water‒ethanol (1/2/2)
• Authors of publication: Odoko, Mamiko; Muranishi, Yasunori; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: m267 - m269
• a: 8.978 ± 0.001 Å
• b: 11.073 ± 0.002 Å
• c: 7.2349 ± 0.0007 Å
• α: 106.25 ± 0.01°
• β: 107.399 ± 0.009°
• γ: 78.47 ± 0.01°
• Cell volume: 653.6 ± 0.16 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: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No