Information card for entry 4132560

Structure parameters

• Formula: C32 H56 Cr N2 Si2
• Calculated formula: C32 H56 Cr N2 Si2
• SMILES: [Cr](=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)(C[Si](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: 11.0281 ± 0.0006 Å
• b: 16.9697 ± 0.001 Å
• c: 19.3066 ± 0.0011 Å
• α: 90°
• β: 101.422 ± 0.001°
• γ: 90°
• Cell volume: 3541.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No