Information card for entry 7010542

Structure parameters

• Common name: [NiCl~2~(IM2py)~2~]
• Chemical name: Dichlorobis(2-(2-pyridyl)-4,4,5,5-tetramethylimidazpline-1-oxy)nickel(II)
• Formula: C24 H32 Cl2 N6 Ni O2
• Calculated formula: C24 H32 Cl2 N6 Ni O2
• SMILES: O=[N]1C2c3cccc[n]3[Ni]3(Cl)([N]=2C(C1(C)C)(C)C)(Cl)[N]1=C(c2cccc[n]32)[N](=O)C(C1(C)C)(C)C
• Title of publication: Crystal structures, magnetic and spectroscopic properties of manganese(II), cobalt(II), nickel(II) and zinc(II) dichloro complexes bearing two 2-pyridyl-substituted imino nitroxides †
• Authors of publication: Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 10
• Pages of publication: 1566
• a: 18.6043 ± 0.0012 Å
• b: 8.9489 ± 0.0006 Å
• c: 15.9286 ± 0.0013 Å
• α: 90°
• β: 102.633 ± 0.003°
• γ: 90°
• Cell volume: 2587.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No