Information card for entry 7105227

Structure parameters

• Formula: C24 H40 F6 N4 O6 S2 Se
• Calculated formula: C24 H40 F6 N4 O6 S2 Se
• SMILES: [Se](=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Diazabutadiene complexes of selenium as Se2+ transfer reagents.
• Authors of publication: Dutton, Jason L; Battista, Taylor L; Sgro, Michael J; Ragogna, Paul J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 1041 - 1043
• a: 12.181 ± 0.002 Å
• b: 17.678 ± 0.004 Å
• c: 15.178 ± 0.003 Å
• α: 90°
• β: 95.1 ± 0.03°
• γ: 90°
• Cell volume: 3255.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No