Information card for entry 7711371

Structure parameters

• Formula: C28 H32 Br4 In2 N2 O4
• Calculated formula: C28 H32 Br4 In2 N2 O4
• SMILES: [In]12(Br)(Br)([O]([In]3(Br)(Br)([O]1[C@@H](c1ccccc1)c1[n]3cccc1)[OH]CC)[C@@H](c1[n]2cccc1)c1ccccc1)[OH]CC
• 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: 12.4217 ± 0.0009 Å
• b: 10.4041 ± 0.0007 Å
• c: 25.5262 ± 0.0019 Å
• α: 90°
• β: 90.439 ± 0.004°
• γ: 90°
• Cell volume: 3298.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0533
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No