Information card for entry 4105606

Structure parameters

• Formula: C38 H52 Cl2 F6 Fe N4 O8 S2
• Calculated formula: C38 H52 Cl2 F6 Fe N4 O8 S2
• Title of publication: O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes
• Authors of publication: Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1274 - 1277
• a: 16.9302 ± 0.0004 Å
• b: 11.4976 ± 0.0002 Å
• c: 24.1945 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4709.62 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No