Information card for entry 4129020

Structure parameters

• Formula: C29 H37 N3 Si2 V
• Calculated formula: C29 H37 N3 Si2 V
• SMILES: [V]12(C[Si](C)(C)C)(C[Si](C)(C)C)[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1
• Title of publication: Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.
• Authors of publication: Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 15230 - 15239
• a: 15.9192 ± 0.0011 Å
• b: 9.2597 ± 0.0005 Å
• c: 19.7266 ± 0.0012 Å
• α: 90°
• β: 91.164 ± 0.003°
• γ: 90°
• Cell volume: 2907.2 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0842
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No