Information card for entry 4068014

Structure parameters

• Formula: C67 H77 Fe N4 O S2
• Calculated formula: C67 H70 Fe N4 O S2
• Title of publication: Synthesis, Structure, and Reactivity Study of Iron(II) Complexes with Bulky Bis(anilido)thioether Ligation
• Authors of publication: Xiao, Jie; Deng, Liang
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 428
• a: 10.0811 ± 0.0008 Å
• b: 14.9136 ± 0.0012 Å
• c: 21.555 ± 0.002 Å
• α: 104.43 ± 0.002°
• β: 97.897 ± 0.002°
• γ: 109.422 ± 0.001°
• Cell volume: 2872.5 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No