Information card for entry 4334401

Structure parameters

• Formula: C24 H32 F6 Fe N4 O6 S2
• Calculated formula: C24 H32 F6 Fe N4 O6 S2
• Title of publication: Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications
• Authors of publication: Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3920 - 3932
• a: 9.774 ± 0.0012 Å
• b: 16.483 ± 0.002 Å
• c: 18.281 ± 0.002 Å
• α: 90°
• β: 101.203 ± 0.007°
• γ: 90°
• Cell volume: 2889 ± 0.6 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 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: 0.1587
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes