Information card for entry 7206890

Structure parameters

• Formula: C24 H34 F6 Fe N4 O4 P
• Calculated formula: C24 H34 F6 Fe N4 O4 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Fe]1234(Oc5c(OC)cccc5C=[N]1CC[NH]2CC)Oc1c(OC)cccc1C=[N]3CC[NH]4CC
• Title of publication: The cooperative spin-state transition of an iron(iii) compound [FeIII(3-MeO-SalEen)2]PF6: thermal- vs. ultra-fast photo-switching
• Authors of publication: Tissot, Antoine; Bertoni, Roman; Collet, Eric; Toupet, Loic; Boillot, Marie-Laure
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 45
• Pages of publication: 18347
• a: 10.314 ± 0.001 Å
• b: 10.8755 ± 0.0008 Å
• c: 14.027 ± 0.001 Å
• α: 74.896 ± 0.006°
• β: 69.384 ± 0.008°
• γ: 75.921 ± 0.007°
• Cell volume: 1401.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1168
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.722
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No