Information card for entry 4339384

Structure parameters

• Common name: [Fe2(m-Tol)2(Ph,Xyl)2(py)2]4CH2Cl2
• Formula: C98 H86 Cl8 Fe2 N2 O8
• Calculated formula: C98 H86 Cl8 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: 12.313 ± 0.004 Å
• b: 17.466 ± 0.006 Å
• c: 20.457 ± 0.007 Å
• α: 90°
• β: 93.745 ± 0.005°
• γ: 90°
• Cell volume: 4390 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No