Information card for entry 4085654

Structure parameters

• Formula: C33 H50 N2 Pb
• Calculated formula: C33 H50 N2 Pb
• SMILES: [Pb]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C(C)(C)C
• Title of publication: β-Diketiminato Organolead Complexes: Structures,207Pb NMR, and Hammett Correlations
• Authors of publication: Taylor, Morgan J.; Coakley, Emma J.; Coles, Martyn P.; Cox, Hazel; Fulton, J. Robin
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2515
• a: 16.8382 ± 0.0003 Å
• b: 16.7094 ± 0.0003 Å
• c: 23.0709 ± 0.0003 Å
• α: 90°
• β: 98.349 ± 0.001°
• γ: 90°
• Cell volume: 6422.35 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No