Information card for entry 4132653

Structure parameters

• Formula: C22 H42 N2 Si Ti
• Calculated formula: C22 H42 N2 Si Ti
• SMILES: [Ti]123456(N([Si]([c]76[c]2([c]3(C)[c]4([c]57C)C)C)(C)C)C(C)(C)C)([N](=C1C)C(C)(C)C)C
• Title of publication: Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.
• Authors of publication: Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 28
• Pages of publication: 8980 - 8989
• a: 42.519 ± 0.003 Å
• b: 9.1392 ± 0.0007 Å
• c: 31.749 ± 0.002 Å
• α: 90°
• β: 127.762 ± 0.0009°
• γ: 90°
• Cell volume: 9753.4 ± 1.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No