Information card for entry 4112333

Structure parameters

• Formula: C96 H79 Cl Fe2 N O8 S
• Calculated formula: C96 H79 Cl Fe2 N O8 S
• 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: 12.595 ± 0.004 Å
• b: 15.545 ± 0.005 Å
• c: 21.915 ± 0.006 Å
• α: 95.539 ± 0.005°
• β: 90.483 ± 0.005°
• γ: 113.723 ± 0.004°
• Cell volume: 3905 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No