Information card for entry 7037381

Structure parameters

• Chemical name: 2,4,6-tris(tert-butyl)-1,7-dichlorido-2,4,6-triazy-1,3,5,7-triseleny-[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: 12.39 ± 0.003 Å
• b: 10.575 ± 0.002 Å
• c: 16.502 ± 0.003 Å
• α: 90°
• β: 106.96 ± 0.03°
• γ: 90°
• Cell volume: 2068.1 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No