Information card for entry 7003804

Structure parameters

• Formula: C14 H25 Br6 N5 Se3
• Calculated formula: C14 H25 Br6 N5 Se3
• SMILES: [se]1ncc[n+]1C(C)(C)C.[se]1ncc[n+]1C(C)(C)C.[Se](Br)(Br)(Br)([Br-])(Br)[Br-].N#CC
• Title of publication: Synthesis and characterization of cationic selenium‒nitrogen heterocycles from tert-butyl-DAB (DAB = 1,4-di-tert-butyl-1,3-diazabutadiene) and SeX4via the reductive elimination of X2 (X = Cl, Br): a distinct contrast with tellurium
• Authors of publication: Dutton, Jason L.; Sutrisno, Andre; Schurko, Robert W.; Ragogna, Paul J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3470 - 3477
• a: 14.7569 ± 0.0008 Å
• b: 10.7682 ± 0.0005 Å
• c: 17.0874 ± 0.0009 Å
• α: 90°
• β: 93.392 ± 0.003°
• γ: 90°
• Cell volume: 2710.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1202
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2136
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No