Information card for entry 4086852

Structure parameters

• Common name: [(py)2H+][trichloro(quinolin-8-yl)gallate(III)]; 6
• Formula: C19 H17 Cl3 Ga N3
• Calculated formula: C19 H17 Cl3 Ga N3
• SMILES: [Ga](Cl)(Cl)(Cl)c1cccc2c1nccc2.[nH+]1ccccc1.n1ccccc1
• Title of publication: Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs
• Authors of publication: Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 2
• Pages of publication: 474
• a: 7.5788 ± 0.0009 Å
• b: 9.4807 ± 0.0012 Å
• c: 15.0912 ± 0.0019 Å
• α: 75.331 ± 0.001°
• β: 79.329 ± 0.001°
• γ: 69.002 ± 0.001°
• Cell volume: 974 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0279
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No