Information card for entry 7036699

Structure parameters

• Chemical name: [Fe2(F2PIM)(Ar4F-PhCO2)2]
• Formula: C80 H52 Cl4 F6 Fe2 N2 O9 S
• Calculated formula: C80 H52 Cl4 F6 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: 14.0897 ± 0.0009 Å
• b: 14.7198 ± 0.0009 Å
• c: 17.4942 ± 0.0011 Å
• α: 100.735 ± 0.001°
• β: 102.714 ± 0.001°
• γ: 94.7 ± 0.001°
• Cell volume: 3448.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No