Information card for entry 7716113

Structure parameters

• Formula: C31 H46 N2
• Calculated formula: C31 H46 N2
• Title of publication: Alkyl backbone variations in common β-diketiminate ligands and applications to N-heterocyclic silylene chemistry
• Authors of publication: Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena Carina; McKay, Aidan P.; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 15.8308 ± 0.0004 Å
• b: 16.5393 ± 0.0004 Å
• c: 21.5528 ± 0.0006 Å
• α: 90°
• β: 91.311 ± 0.002°
• γ: 90°
• Cell volume: 5641.7 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1449
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No