Information card for entry 7060673

Structure parameters

• Chemical name: LAlMe2 (Ar = Mes)
• Formula: C36 H58 Al N3 P2
• Calculated formula: C36 H58 Al N3 P2
• SMILES: P1(=[N]([Al](n2c(P(=Nc3c(cc(C)cc3C)C)(C(C)C)C(C)C)ccc12)(C)C)c1c(cc(cc1C)C)C)(C(C)C)C(C)C
• Title of publication: Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands
• Authors of publication: Chisholm, Desmond T.; Hayes, Paul G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 33
• Pages of publication: 15043 - 15052
• a: 8.5179 ± 0.0004 Å
• b: 14.3557 ± 0.0004 Å
• c: 16.0481 ± 0.0004 Å
• α: 66.419 ± 0.002°
• β: 82.147 ± 0.003°
• γ: 77.448 ± 0.003°
• Cell volume: 1752.81 ± 0.11 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 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: 0.0728
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No