Information card for entry 4339388

Structure parameters

• Common name: [Fe2(O2CArTol)4(tBuSCH2py)]C6H5Cl1/4pentane
• Formula: C101.25 H91 Cl Fe2 N O8 S
• Calculated formula: C101.25 H91 Cl 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: 25.1545 ± 0.0018 Å
• b: 25.3801 ± 0.0017 Å
• c: 13.7159 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8756.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No