Information card for entry 4318358

Structure parameters

• Common name: [Cr(acaMe)2(IM2py)]PF~6~
• Chemical name: Bis(3-Methyl-pentane-2,4-dionato)(2-(2-pyridyl)-4,4,5,5-tetramethyl imidazoline-1-oxy)chromium(III) Hexafluorophosphate
• Formula: C24 H34 Cr F6 N3 O5 P
• Calculated formula: C24 H34 Cr F6 N3 O5 P
• SMILES: [Cr]123(OC(=C(C(=[O]1)C)C)C)([O]=C(C)C(=C(O2)C)C)N1C(=N(=O)C(C1(C)C)(C)C)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.7128 ± 0.0004 Å
• b: 15.7194 ± 0.0005 Å
• c: 17.1131 ± 0.0006 Å
• α: 90°
• β: 94.473 ± 0.002°
• γ: 90°
• Cell volume: 2873.05 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.1123
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No