Information card for entry 4132645

Structure parameters

• Formula: C21 H37 N Si Ti
• Calculated formula: C21 H37 N Si Ti
• SMILES: [CH2]=1[C]2([C]3([Ti]45678912(N(C(C)(C)C)[Si]7([c]14[c]5([c]6([c]9([c]81C)C)C)C)(C)C)[CH2]=3)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: 10.9353 ± 0.0011 Å
• b: 13.4608 ± 0.0014 Å
• c: 14.6526 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2156.8 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No