Information card for entry 7036697

Structure parameters

• Chemical name: [Fe2(PIM)(Ar4F-PhCO2)2]
• Formula: C82.63 H56 Cl2.44 F4 Fe2 N2 O9 S
• Calculated formula: C82.627 H56 Cl2.444 F4 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: 19.2065 ± 0.0012 Å
• b: 13.5135 ± 0.0008 Å
• c: 27.848 ± 0.0017 Å
• α: 90°
• β: 99.283 ± 0.001°
• γ: 90°
• Cell volume: 7133.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No