Information card for entry 7711369

Structure parameters

• Formula: C24 H17 Br4 In N2 O2
• Calculated formula: C24 H17 Br4 In N2 O2
• SMILES: [In]1(Br)(Br)(Br)(Br)[O]=C(c2[n]1cccc2)c1ccccc1.[n+]12c3c(C(=O)c1cccc2)cccc3
• Title of publication: Indium(iii)/2-benzoylpyridine chemistry: interesting indium(iii) bromide-assisted transformations of the ligand
• Authors of publication: Stamou, Christina; Lada, Zoi G.; Chasapis, Christos T.; Papaioannou, Dionissios; Dechambenoit, Pierre; Perlepes, Spyros P.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 34.562 ± 0.004 Å
• b: 7.6912 ± 0.001 Å
• c: 19.859 ± 0.003 Å
• α: 90°
• β: 108.002 ± 0.014°
• γ: 90°
• Cell volume: 5020.6 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No