Information card for entry 4132559

Structure parameters

• Formula: C46 H59 Cr N2 P Si
• Calculated formula: C46 H59 Cr N2 P Si
• SMILES: [Cr]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=C[Si](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: 17.0985 ± 0.0011 Å
• b: 13.5512 ± 0.0009 Å
• c: 21.4178 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4962.6 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No