Information card for entry 4339385

Structure parameters

• Common name: [Fe2(Ph,Xyl)4(py)2]
• Formula: C94 H78 Fe2 N2 O8
• Calculated formula: C94 H78 Fe2 N2 O8
• 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: 11.707 ± 0.003 Å
• b: 14.289 ± 0.004 Å
• c: 24.133 ± 0.006 Å
• α: 93.286 ± 0.005°
• β: 95.981 ± 0.005°
• γ: 111.166 ± 0.004°
• Cell volume: 3724.5 ± 1.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No