Information card for entry 7125940

Structure parameters

• Formula: C44 H50 Cr F8 N2 O5 S
• Calculated formula: C44 H50 Cr F8 N2 O5 S
• Title of publication: Synthesis and electronic structure studies of a Cr-imido redox series.
• Authors of publication: Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 21
• Pages of publication: 3163 - 3166
• a: 11.3653 ± 0.0004 Å
• b: 17.4031 ± 0.0007 Å
• c: 21.1322 ± 0.0005 Å
• α: 93.966 ± 0.003°
• β: 102.004 ± 0.002°
• γ: 96.269 ± 0.003°
• Cell volume: 4045.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1136
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No