Information card for entry 4112334

Structure parameters

• Formula: C109 H92 Cl2 Fe2 N2 O8
• Calculated formula: C109 H90 Cl2 Fe2 N2 O8
• Title of publication: Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes
• Authors of publication: Emily C. Carson; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3412 - 3413
• a: 11.8024 ± 0.0011 Å
• b: 14.7291 ± 0.0013 Å
• c: 25.142 ± 0.002 Å
• α: 94.819 ± 0.002°
• β: 97.452 ± 0.002°
• γ: 91.443 ± 0.002°
• Cell volume: 4315.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No