Information card for entry 2223826

Structure parameters

• Chemical name: Aqua[2-(2-pyridylmethyliminomethyl)phenolato]nickel(II) nitrate monohydrate
• Formula: C13 H15 N3 Ni O6
• Calculated formula: C13 H15 N3 Ni O6
• SMILES: [Ni]12(Oc3c(cccc3)C=[N]1Cc1[n]2cccc1)[OH2].O=N(=O)[O-].O
• Title of publication: Aqua[2-(2-pyridylmethyliminomethyl)phenolato]nickel(II) nitrate monohydrate
• Authors of publication: Sheng, Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1348
• a: 7.7885 ± 0.0013 Å
• b: 9.0155 ± 0.0015 Å
• c: 11.3285 ± 0.0019 Å
• α: 71.244 ± 0.002°
• β: 85.846 ± 0.003°
• γ: 86.967 ± 0.003°
• Cell volume: 750.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes