Information card for entry 4343421

Structure parameters

• Formula: C56 H58 Cl4 Fe2 N2 P4 S2
• Calculated formula: C56 H58 Cl4 Fe2 N2 P4 S2
• Title of publication: Unsymmetrical Chelation of N-Thioether-Functionalized Bis(diphenylphosphino)amine-Type Ligands and Substituent Effects on the Nuclearity of Iron(II) Complexes: Structures, Magnetism, and Bonding.
• Authors of publication: Fliedel, Christophe; Rosa, Vitor; Falceto, Andrés; Rosa, Patrick; Alvarez, Santiago; Braunstein, Pierre
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6547 - 6559
• a: 9.1061 ± 0.0003 Å
• b: 17.0094 ± 0.0007 Å
• c: 18.7819 ± 0.0008 Å
• α: 91.446 ± 0.002°
• β: 92.284 ± 0.002°
• γ: 90.945 ± 0.002°
• Cell volume: 2905.4 ± 0.2 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: 0.1201
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2112
• Weighted residual factors for all reflections included in the refinement: 0.2373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No