Information card for entry 7101211

Structure parameters

• Formula: C14 H25 Cl6 N5 Se3
• Calculated formula: C14 H25 Cl6 N5 Se3
• SMILES: [Cl-][Se](Cl)(Cl)(Cl)(Cl)[Cl-].[se]1ncc[n+]1C(C)(C)C.[se]1ncc[n+]1C(C)(C)C.N#CC
• Title of publication: The Direct Reaction of the tBu-DAB Ligand with SeCl4: A Redox Route to Selenium-Nitrogen Heterocycles
• Authors of publication: Paul Ragogna; Jason L. Dutton; Michael C. Jennings; Jocelyn J. Tindale
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 23
• a: 14.5099 ± 0.0004 Å
• b: 10.4455 ± 0.0002 Å
• c: 16.7518 ± 0.0007 Å
• α: 90°
• β: 93.718 ± 0.002°
• γ: 90°
• Cell volume: 2533.61 ± 0.14 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: 0.0686
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No