Information card for entry 4132655

Structure parameters

• Formula: C31 H51 N3 Si Ti
• Calculated formula: C31 H51 N3 Si Ti
• SMILES: [Ti]123456(N(C(C)(C)C)[Si]([c]17[c]4(C)[c]5([c]6(C)[c]27C)C)(C)C)N(C(C)(C)C\3=N\c1c(C)cccc1C)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: 16.28 ± 0.002 Å
• b: 10.6344 ± 0.0014 Å
• c: 18.997 ± 0.003 Å
• α: 90°
• β: 108.879 ± 0.002°
• γ: 90°
• Cell volume: 3112 ± 0.7 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No