Information card for entry 2012290

Structure parameters

• Chemical name: trans Diaqua(biquinoline N,N')(nitrato O,O')-Nickel(II) nitrate,hydrate
• Formula: C18 H18 N4 Ni O9
• Calculated formula: C18 H18 N4 Ni O9
• SMILES: [Ni]12([n]3c(-c4[n]1c1ccccc1cc4)ccc1ccccc31)(ON(=[O]2)=O)([OH2])[OH2].N(=O)(=O)[O-].O
• Title of publication: <i>trans</i>-Diaqua(2,2'-biquinoline-<i>N</i>,<i>N</i>')(nitrato-<i>O</i>,<i>O</i>')nickel(II) nitrate hydrate
• Authors of publication: Freire, Eleonora; Baggio, Sergio; Goeta, Andrés; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1268 - 1270
• a: 8.425 ± 0.0007 Å
• b: 11.2156 ± 0.0007 Å
• c: 20.8889 ± 0.0014 Å
• α: 90°
• β: 94.499 ± 0.003°
• γ: 90°
• Cell volume: 1967.7 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes