Information card for entry 7037382

Structure parameters

• Chemical name: 2,4,6-tris(tert-butyl)-1,7-dichlorido-2,4,6-triazy-1,3,5,7-tetraseleny-[7]catena
• Formula: C12 H27 Cl2 N3 Se4
• Calculated formula: C12 H27 Cl2 N3 Se4
• SMILES: [Se](Cl)N([Se]N([Se]N([Se]Cl)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: The role of imidoselenium(ii) chlorides in the formation of cyclic selenium imides via cyclocondensation.
• Authors of publication: Karhu, Aino J.; Pakkanen, Olli J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6210 - 6221
• a: 10.972 ± 0.002 Å
• b: 12.07 ± 0.002 Å
• c: 15.887 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2103.9 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No