Information card for entry 7013614

Structure parameters

• Common name: trans-bis(pentane-2,4-dionato)bis(4,4,5,5-tetramethyl-2-(4- pyridyl)imidazolin-1-oxyl)chromium(iii) Hexafluorophosphate Acetonitrile Solvate
• Chemical name: trans-bis(pentane-2,4-dionato)bis(4,4,5,5-tetramethyl-2-(4-pyridyl)imidazolin- 1-oxyl)chromium(III) Hexafluorophosphate Acetonitrile Solvate
• Formula: C36 H49 Cr F6 N7 O6 P
• Calculated formula: C36 H22 Cr F6 N7 O6 P
• Title of publication: Syntheses, structures, magnetic and spectroscopic properties of bis(pentane-2,4-dionato)chromium(iii) complexes incorporating 3- or 4-pyridyl-substituted nitronyl and imino nitroxides
• Authors of publication: Iino, Atsushi; Suzuki, Takayoshi; Kaizaki, Sumio
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4604
• a: 8.7854 ± 0.0012 Å
• b: 11.1346 ± 0.0013 Å
• c: 12.0711 ± 0.0015 Å
• α: 86.199 ± 0.01°
• β: 80.831 ± 0.011°
• γ: 80.867 ± 0.01°
• Cell volume: 1149.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2011
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No