Information card for entry 7060670

Structure parameters

• Formula: C40 H65 N3 P2
• Calculated formula: C40 H65 N3 P2
• SMILES: P(=Nc1c(cccc1C(C)C)C(C)C)(c1[nH]c(P(=Nc2c(cccc2C(C)C)C(C)C)(C(C)C)C(C)C)cc1)(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: 18.1046 ± 0.0003 Å
• b: 8.3016 ± 0.0001 Å
• c: 26.1934 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3936.79 ± 0.1 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No