Information card for entry 7007613

Structure parameters

• Formula: C33 H41 Al Cl2 N2
• Calculated formula: C33 H41 Al Cl2 N2
• SMILES: [Al]1(Cl)(Cl)N(C=C(C=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.
• Authors of publication: Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 37
• Pages of publication: 4449 - 4460
• a: 10.0584 ± 0.0001 Å
• b: 11.9404 ± 0.0001 Å
• c: 26.9485 ± 0.0003 Å
• α: 90°
• β: 98.394 ± 0.001°
• γ: 90°
• Cell volume: 3201.88 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No