Information card for entry 2211667

Structure parameters

• Formula: C30 H26 N12 Ni O6
• Calculated formula: C30 H26 N12 Ni O6
• SMILES: c12cccc3[n]2[Ni]24([n]5c(N3)cccc5)([n]3ccccc3N1)[n]1ccccc1Nc1cccc([n]21)Nc1[n]4cccc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Bis[2,6-bis(2-pyridylamino)pyridine]nickel(II) dinitrate
• Authors of publication: Yan, Guo-Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3551 - m3553
• a: 8.2138 ± 0.0012 Å
• b: 11.2601 ± 0.0016 Å
• c: 16.79 ± 0.002 Å
• α: 90°
• β: 93.277 ± 0.002°
• γ: 90°
• Cell volume: 1550.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes