Information card for entry 7060672

Structure parameters

• Chemical name: LMes
• Formula: C40 H59 N3 P2
• Calculated formula: C40 H59 N3 P2
• SMILES: P(=Nc1c(cc(cc1C)C)C)(c1[nH]c(P(=Nc2c(cc(cc2C)C)C)(C(C)C)C(C)C)cc1)(C(C)C)C(C)C.c1ccccc1
• 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: 11.6933 ± 0.0002 Å
• b: 22.3999 ± 0.0003 Å
• c: 14.5398 ± 0.0002 Å
• α: 90°
• β: 97.596 ± 0.001°
• γ: 90°
• Cell volume: 3774.97 ± 0.1 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0596
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No