Information card for entry 2208876

Structure parameters

• Chemical name: Bis(di-2-pyridylaminato N,N'-dioxide)nickel(II) methanol solvate
• Formula: C21 H20 N6 Ni O5
• Calculated formula: C21 H20 N6 Ni O5
• SMILES: OC.[Ni]1234(N(c5n(cccc5)=[O]4)c4n(=[O]1)cccc4)N(c1ccccn1=[O]3)c1n(=[O]2)cccc1
• Title of publication: Bis[bis(1-oxo-2-pyridyl)aminato]nickel(II) methanol solvate
• Authors of publication: Kuang, Han-Mao; Zeng, Xi-Rui; Liu, Yin-Qiu; Luo, Qiu-Yan; Fang, Xiao-Niu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1132 - m1133
• a: 11.3969 ± 0.0017 Å
• b: 12.911 ± 0.002 Å
• c: 28.337 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4169.7 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes