Information card for entry 2017163

Structure parameters

• Chemical name: Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)(nitrato- k^2^<i>O</i>,<i>O</i>')nickel(II) nitrate
• Formula: C20 H18 N8 Ni O6
• Calculated formula: C20 H18 N8 Ni O6
• SMILES: [Ni]123([O]=N(=O)O1)([n]1ccccc1Nc1[n]2cccc1)[n]1ccccc1Nc1[n]3cccc1.O=N(=O)[O-]
• Title of publication: Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)(nitrato-κ^2^<i>O</i>,<i>O</i>')nickel(II) nitrate
• Authors of publication: Černák, Juraj; Pavlová, Anna; Dušek, Michal; Fejfarová, Karla
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m260 - m262
• a: 14.5928 ± 0.0002 Å
• b: 9.8699 ± 0.0002 Å
• c: 16.0846 ± 0.0003 Å
• α: 90°
• β: 113.843 ± 0.002°
• γ: 90°
• Cell volume: 2118.95 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0306
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes