Information card for entry 7028570

Structure parameters

• Formula: C36 H44 F12 Fe N8 P2
• Calculated formula: C35.992 H44 F12 Fe N8 P2
• Title of publication: Light-induced excited spin state trapping effect on [Fe(mepy)3tren](PF6)2 solvated crystals.
• Authors of publication: Tissot, Antoine; Rivière, Eric; Guillot, Régis; Toupet, Loic; Collet, Eric; Boillot, Marie-Laure
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1063 - 1071
• a: 13.404 ± 0.0005 Å
• b: 17.4684 ± 0.0006 Å
• c: 18.3855 ± 0.0007 Å
• α: 90°
• β: 101.934 ± 0.001°
• γ: 90°
• Cell volume: 4211.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2146
• Weighted residual factors for all reflections included in the refinement: 0.2584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No