Information card for entry 4129018

Structure parameters

• Formula: C27 H43 N3 Si3 V
• Calculated formula: C27 H43 N3 Si3 V
• SMILES: [V]12([n]3ccccc3c3[n]1c(cc(C[Si](C)(C)C)c3)c1[n]2cccc1)(C[Si](C)(C)C)C[Si](C)(C)C
• 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: 10.8676 ± 0.0007 Å
• b: 12.3856 ± 0.0008 Å
• c: 12.9182 ± 0.0008 Å
• α: 115.312 ± 0.001°
• β: 95.615 ± 0.001°
• γ: 97.369 ± 0.001°
• Cell volume: 1536.12 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No