Information card for entry 4112331

Structure parameters

• Common name: [Fe2(m-O2CArTol)4(4-Ph2Ppy)2]
• Formula: C119 H98 Cl2 Fe2 N2 O8 P2
• Calculated formula: C119 H96 Cl2 Fe2 N2 O8 P2
• 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: 22.322 ± 0.005 Å
• b: 17.485 ± 0.004 Å
• c: 25.357 ± 0.005 Å
• α: 90°
• β: 105.275 ± 0.004°
• γ: 90°
• Cell volume: 9547 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No