Information card for entry 7716107

Structure parameters

• Formula: C33 H49 Li N2
• Calculated formula: C33 H49 Li N2
• SMILES: N1(C(=CC(=[N](c2c(cccc2C(C)C)C(C)C)[Li]1)C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.
• Authors of publication: Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 9887 - 9895
• a: 13.069 ± 0.003 Å
• b: 16.031 ± 0.003 Å
• c: 14.893 ± 0.003 Å
• α: 90°
• β: 105.472 ± 0.005°
• γ: 90°
• Cell volume: 3007.1 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.2638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No