Information card for entry 4339391

Structure parameters

• Common name: [Fe2(O2CArTol)4(iPr3PhSCH2py)]
• Formula: C119.5 H113 Cl2 Fe2 N O8 S
• Calculated formula: C119.5 H113 Cl2 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: 12.8583 ± 0.0008 Å
• b: 15.4052 ± 0.001 Å
• c: 27.3385 ± 0.0018 Å
• α: 88.872 ± 0.001°
• β: 78.052 ± 0.001°
• γ: 71.666 ± 0.001°
• Cell volume: 5023.1 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No