Information card for entry 7038777

Structure parameters

• Formula: C52 H38 F18 Fe N O S3
• Calculated formula: C52.002 H38.004 F18 Fe N O S3
• Title of publication: Redox flexibility of iron complexes supported by sulfur-based tris(o-methylenethiophenolato)amine relative to its tripodal oxygen-based congener.
• Authors of publication: Mondragón, Alexander; Martínez-Alanis, Paulina R; Aullón, Gabriel; Hernández-Ortega, Simón; Robles-Marín, Elvis; Flores-Alamo, Marcos; Ugalde-Saldívar, Víctor M; Castillo, Ivan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9996 - 10006
• a: 14.0497 ± 0.0009 Å
• b: 14.0497 ± 0.0009 Å
• c: 16.3511 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2795.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No