Information card for entry 4339387

Structure parameters

• Common name: [Fe2(O2CArTol)4(pyCH2SEt)]
• Formula: C94 H83 Cl4 Fe2 N O8 S
• Calculated formula: C94 H83 Cl4 Fe2 N O8 S
• Title of publication: Influence of steric hindrance on the core geometry and sulfoxidation chemistry of carboxylate-rich diiron(II) complexes.
• Authors of publication: Reisner, Erwin; Abikoff, Tanya C.; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10229 - 10240
• a: 12.9053 ± 0.001 Å
• b: 26.771 ± 0.002 Å
• c: 23.6564 ± 0.0019 Å
• α: 90°
• β: 94.139 ± 0.001°
• γ: 90°
• Cell volume: 8151.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.105
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No