Information card for entry 7060790

Structure parameters

• Formula: C11 H11 Br2 Co N3 Se
• Calculated formula: C11 H11 Br2 Co N3 Se
• SMILES: [Se]1Cc2[n]([Co](Br)([n]3c1c(N)ccc3)Br)cccc2
• Title of publication: Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation
• Authors of publication: Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 12863 - 12870
• a: 8.3309 ± 0.0006 Å
• b: 12.1666 ± 0.0009 Å
• c: 14.2649 ± 0.0012 Å
• α: 90°
• β: 93.019 ± 0.003°
• γ: 90°
• Cell volume: 1443.87 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1199
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No