Information card for entry 7013615

Structure parameters

• Common name: trans-bis(pentane-2,4-dionato)bis(pyridine)chromium(iii) Hexafluorophosphate
• Chemical name: trans-bis(pentane-2,4-dionato)bis(pyridine)chromium(III) Hexafluorophosphate
• Formula: C20 H24 Cr F6 N2 O4 P
• Calculated formula: C20 H24 Cr F6 N2 O4 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: 12.869 ± 0.001 Å
• b: 12.869 Å
• c: 15.1892 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2515.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No