Information card for entry 4132562

Structure parameters

• Formula: C52 H71 Cr N2 P
• Calculated formula: C47 H59 Cr N2 P
• SMILES: [Cr]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=CC(C)(C)C
• Title of publication: Structure and Reactivity of Chromium(VI) Alkylidenes.
• Authors of publication: Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7088 - 7091
• a: 12.4593 ± 0.0004 Å
• b: 12.8057 ± 0.0004 Å
• c: 30.868 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4925 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No