Information card for entry 7060789

Structure parameters

• Formula: C11 H11 Cl2 Cu N3 Se
• Calculated formula: C11 H11 Cl2 Cu N3 Se
• 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: 13.8873 ± 0.0008 Å
• b: 12.4918 ± 0.0007 Å
• c: 7.967 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1382.09 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No