Information card for entry 4132656

Structure parameters

• Formula: C27 H51 Hf N3 Si
• Calculated formula: C27 H51 Hf N3 Si
• SMILES: [Hf]1234567(N(C(C)(C)C)[Si]([c]18[c]4([c]5(C)[c]6([c]78C)C)C)(C)C)([N](=C2C)C(C)(C)C)[N](=[C]3C)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: 16.882 ± 0.003 Å
• b: 11.9432 ± 0.0019 Å
• c: 30.22 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6093.1 ± 1.8 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No