Information card for entry 1572545

Structure parameters

• Formula: C27 H36 Hf N2 Si
• Calculated formula: C27 H36 Hf N2 Si
• Title of publication: Reversible C–C bond formation in group 4 metal complexes: nitrile extrusion via β-aryl elimination
• Authors of publication: Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 9.6477 ± 0.0007 Å
• b: 10.3442 ± 0.0008 Å
• c: 15.3145 ± 0.0012 Å
• α: 88.415 ± 0.001°
• β: 72.422 ± 0.001°
• γ: 63.567 ± 0.001°
• Cell volume: 1294.42 ± 0.17 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.036
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No