Information card for entry 4307887

Structure parameters

• Formula: C24 H24 F6 Fe N6 O6 S2
• Calculated formula: C24 H24 F6 Fe N6 O6 S2
• SMILES: [Fe]123([n]4n(c(cc4C)C)Cc4[n]1c(ccc4)c1[n]3c(Cn3[n]2c(cc3C)C)ccc1)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: Remarkable Steric Effects and Influence of Monodentate Axial Ligands L on the Spin-Crossover Properties of trans-[FeII(N4ligand)L] Complexes
• Authors of publication: José Sánchez Costa; Kristian Lappalainen; Graham de Ruiter; Manuel Quesada; Jinkui Tang; Ilpo Mutikainen; Urho Turpeinen; C. Matthias Grunert; Philipp Gütlich; Hanane Zhor Lazar; Jean-François Létard; Patrick Gamez; Jan Reedijk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4079 - 4089
• a: 9.574 ± 0.002 Å
• b: 10.757 ± 0.002 Å
• c: 14.712 ± 0.002 Å
• α: 105.89 ± 0.03°
• β: 95.66 ± 0.03°
• γ: 90.45 ± 0.03°
• Cell volume: 1449.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No