Information card for entry 2019504

Structure parameters

• Chemical name: Tribromido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III)
• Formula: C15 H11 Br3 Ga N3
• Calculated formula: C15 H11 Br3 Ga N3
• SMILES: Br[Ga]12(Br)(Br)[n]3c(cccc3c3[n]1cccc3)c1[n]2cccc1
• Title of publication: Masking of Lewis acidity trends in the solid-state structures of trichlorido- and tribromido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III)
• Authors of publication: Kazakov, Igor V.; Bodensteiner, Michael; Timoshkin, Alexey Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: 312 - 314
• a: 8.3602 ± 0.0001 Å
• b: 14.5133 ± 0.0001 Å
• c: 13.9874 ± 0.0001 Å
• α: 90°
• β: 104.967 ± 0.001°
• γ: 90°
• Cell volume: 1639.57 ± 0.03 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes