Information card for entry 4132648

Structure parameters

• Formula: C31 H55 N3 Si Ti
• Calculated formula: C31 H55 N3 Si Ti
• SMILES: [Ti]234567(N(C(C)(C)C)[Si]([c]12[c]3([c]6([c]7([c]41C)C)C)C)(C)C)([N](=[C]15CC(=C(C1)C)C)C(C)(C)C)C#[N]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: 19.119 ± 0.002 Å
• b: 10.0925 ± 0.0012 Å
• c: 17.663 ± 0.002 Å
• α: 90°
• β: 104.751 ± 0.002°
• γ: 90°
• Cell volume: 3295.9 ± 0.6 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No