Information card for entry 2204091

Structure parameters

• Formula: C20 H20 N12 Ni O
• Calculated formula: C20 H20 N12 Ni O
• SMILES: [Ni]12([n]3ccccc3Nc3cccc[n]13)([n]1ccccc1Nc1cccc[n]21)(N=N#N)N=N#N.O
• Title of publication: Diazidobis(2,2'-dipyridylamine)nickel(II) monohydrate
• Authors of publication: Villanueva, Mónica; Urtiaga, M. Karmele; Mesa, José L.; Arriortua, M. Isabel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1175 - m1177
• a: 7.651 ± 0.003 Å
• b: 9.268 ± 0.002 Å
• c: 16.721 ± 0.004 Å
• α: 79.36 ± 0.02°
• β: 84.17 ± 0.02°
• γ: 69.78 ± 0.02°
• Cell volume: 1092.6 ± 0.6 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: 0.058
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes