Information card for entry 2221257

Structure parameters

• Chemical name: Aquadinitrato(quioxalino[2,3-<i>f</i>][1,10]phenanthroline)nickel(II) monohydrate
• Formula: C18 H14 N6 Ni O8
• Calculated formula: C18 H14 N6 Ni O8
• SMILES: c12c3c4[n](ccc3)[Ni]([n]3c4c(ccc3)c2nc2ccccc2n1)(ON(=O)=O)(ON(=O)=O)[OH2].O
• Title of publication: Aquadinitrato(quioxalino[2,3-<i>f</i>][1,10]phenanthroline)nickel(II) monohydrate
• Authors of publication: Wang, Jia-Tian; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m475
• a: 7.3 ± 0.003 Å
• b: 27.872 ± 0.012 Å
• c: 9.95 ± 0.004 Å
• α: 90°
• β: 109.005 ± 0.006°
• γ: 90°
• Cell volume: 1914.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes