Information card for entry 4132650

Structure parameters

• Formula: C31 H55 Hf N3 Si
• Calculated formula: C31 H55 Hf N3 Si
• SMILES: [Hf]123456(N(C(C)(C)C)[Si]([c]71[c]5([c]6(C)[c]3([c]47C)C)C)(C)C)N([C@@]15[C@@H](C(=C(C1)C)C)[C@@H]5N2C(C)(C)C)C(C)(C)C.[Hf]123456(N(C(C)(C)C)[Si]([c]71[c]5([c]6(C)[c]3([c]47C)C)C)(C)C)N([C@]15[C@H](C(=C(C1)C)C)[C@H]5N2C(C)(C)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: 10.0272 ± 0.0003 Å
• b: 11.4817 ± 0.0004 Å
• c: 14.1819 ± 0.0005 Å
• α: 79.88°
• β: 77.87°
• γ: 86.752 ± 0.001°
• Cell volume: 1571.13 ± 0.09 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No