Information card for entry 7003805

Structure parameters

• Formula: C30 H11 B F20 N2 Se
• Calculated formula: C30 H11 B F20 N2 Se
• SMILES: [se]1[n+](ccn1)C(C)(C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 9.91 ± 0.002 Å
• b: 17.185 ± 0.003 Å
• c: 19.626 ± 0.004 Å
• α: 68.87 ± 0.03°
• β: 78.32 ± 0.03°
• γ: 81.81 ± 0.03°
• Cell volume: 3044.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No