Information card for entry 7036698

Structure parameters

• Chemical name: [Fe2(F2PIM)(ArTolCO2)2]
• Formula: C85.31 H67.17 Cl3.92 F2 Fe2 N2 O9 S
• Calculated formula: C85.313 H67.168 Cl3.916 F2 Fe2 N2 O9 S
• Title of publication: (19)F NMR study of ligand dynamics in carboxylate-bridged diiron(ii) complexes supported by a macrocyclic ligand.
• Authors of publication: Minier, Mikael A.; Lippard, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18111 - 18121
• a: 29.279 ± 0.003 Å
• b: 15.9399 ± 0.0016 Å
• c: 34.344 ± 0.004 Å
• α: 90°
• β: 114.405 ± 0.002°
• γ: 90°
• Cell volume: 14596 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No