Information card for entry 4318359

Structure parameters

• Common name: [Ni(acac)~2~(IM2py)]
• Chemical name: Bis(pentane-2,4-dionato)(2-(2'-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H- imidazol-1-oxy)nickel(II)
• Formula: C22 H30 N3 Ni O5
• Calculated formula: C22 H30 N3 Ni O5
• SMILES: [Ni]123(OC(=CC(=[O]1)C)C)([O]=C(C)C=C(O2)C)[N]1=C([N](=O)C(C1(C)C)(C)C)c1[n]3cccc1
• Title of publication: Synthesis, Magnetic Properties, and Electronic Spectra of Bis(β-diketonato)chromium(III) and Nickel(II) Complexes with a Chelated Imino Nitroxide Radical: X-ray Structures of [Cr(acaMe)2(IM2py)]PF6 and [Ni(acac)2(IM2py)]
• Authors of publication: Yasunori Tsukahara; Takayuki Kamatani; Atsushi Iino; Takayoshi Suzuki; Sumio Kaizaki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4363 - 4370
• a: 29.018 ± 0.003 Å
• b: 10.095 ± 0.003 Å
• c: 17.972 ± 0.004 Å
• α: 90°
• β: 111.445 ± 0.011°
• γ: 90°
• Cell volume: 4900.2 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1951
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71072 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No