Information card for entry 7125943

Structure parameters

• Formula: C44 H45 Cl Cr F5 N3
• Calculated formula: C44 H45 Cl Cr F5 N3
• 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: 18.229 ± 0.003 Å
• b: 20.427 ± 0.003 Å
• c: 10.3857 ± 0.0018 Å
• α: 90°
• β: 105.421 ± 0.004°
• γ: 90°
• Cell volume: 3728 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2209
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No