Information card for entry 4132651

Structure parameters

• Formula: C39 H55 Hf N3 Si
• Calculated formula: C39 H55 Hf N3 Si
• SMILES: [Hf]123456(N([Si]([c]72[c]4([c]5(C)[c]6([c]37C)C)C)(C)C)C(C)(C)C)[N](=C2C(=[N]1c1c(C)cccc1C)CC(=C(C2)C)C)c1c(C)cccc1C
• 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: 13.7387 ± 0.0006 Å
• b: 14.6755 ± 0.0007 Å
• c: 18.1687 ± 0.0008 Å
• α: 84.7857 ± 0.0006°
• β: 77.1608 ± 0.0006°
• γ: 89.5164 ± 0.0006°
• Cell volume: 3556.6 ± 0.3 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: 0.0456
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No