Information card for entry 7060671

Structure parameters

• Chemical name: LInCl2 (Ar = Pipp)
• Formula: C34 H52 Cl2 In N3 P2
• Calculated formula: C34 H52 Cl2 In N3 P2
• SMILES: [In]12(Cl)(Cl)n3c(P(=[N]1c1ccc(cc1)C(C)C)(C(C)C)C(C)C)ccc3P(=[N]2c1ccc(cc1)C(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: 16.3379 ± 0.0002 Å
• b: 23.992 ± 0.0002 Å
• c: 20.6103 ± 0.0002 Å
• α: 90°
• β: 112.995 ± 0.001°
• γ: 90°
• Cell volume: 7436.85 ± 0.14 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 6
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No