Information card for entry 7013613

Structure parameters

• Common name: cis-bis(pentane-2,4-dionato)bis(4,4,5,5-tetramethyl-2-(3- pyridyl)imidazolin-1-oxyl 3-oxide)chromium(iii) Hexafluorophosphate Hydrate
• Chemical name: cis-bis(pentane-2,4-dionato)bis(4,4,5,5-tetramethyl-2-(3-pyridyl)imidazolin- 1-oxyl 3-oxide)chromium(III) Hexafluorophosphate Hydrate
• Formula: C34 H48 Cr F6 N6 O9 P
• Calculated formula: C34 H46 Cr F6 N6 O9 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: 25.41 ± 0.002 Å
• b: 13.622 ± 0.003 Å
• c: 12.851 ± 0.003 Å
• α: 90°
• β: 95.221 ± 0.012°
• γ: 90°
• Cell volume: 4429.7 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.2881
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No