Information card for entry 2012337

Structure parameters

• Common name: [Ni(NO~3~)(tmen)(NIT2py)]PF6.CH2Cl2
• Chemical name: [4,5-Dihydro-4,4,5,5-tetramethyl-2-(2-pyridyl-κN)imidazol-1-oxyl 3-oxide-κO^3^](nitrato-κ^2^O,O')(N,N,N',N'-tetramethyl-1,2-ethanediamine- κ^2^N,N')nickel(II) hexafluorophophate dichloromethane solvate
• Formula: C19 H34 Cl2 F6 N6 Ni O5 P
• Calculated formula: C19 H34 Cl2 F6 N6 Ni O5 P
• SMILES: [Ni]123(ON4C(=N(=O)C(C4(C)C)(C)C)c4[n]2cccc4)(ON(=[O]1)=O)[N](CC[N]3(C)C)(C)C.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A nitronyl nitroxide complex of nickel(II) with nitrate as a ligand
• Authors of publication: Yoshida, Takafumi; Suzuki, Takayoshi; Kaizaki, Sumio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1274 - 1276
• a: 8.6307 ± 0.0018 Å
• b: 26.69 ± 0.006 Å
• c: 13.119 ± 0.002 Å
• α: 90°
• β: 102.305 ± 0.015°
• γ: 90°
• Cell volume: 2952.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.1634
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes