Information card for entry 7125942

Structure parameters

• Formula: C59 H70 Cr F5 N4
• Calculated formula: C59 H70 Cr F5 N4
• 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: 15.3902 ± 0.0008 Å
• b: 22.0785 ± 0.0008 Å
• c: 29.9364 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10172.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1414
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No