Information card for entry 4342962

Structure parameters

• Chemical name: methyl tetraselenium tetraimide
• Formula: C4 H12 N4 Se4
• Calculated formula: C4 H12 N4 Se4
• SMILES: [Se]1N([Se]N([Se]N([Se]N1C)C)C)C
• Title of publication: Experimental and Computational (77)Se NMR Investigations of the Cyclic Eight-Membered Selenium Imides 1,3,5,7-Se4(NR)4 (R = Me, (t)Bu) and 1,5-Se6(NMe)2.
• Authors of publication: Karhu, Aino J.; Pakkanen, Olli J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4990 - 4997
• a: 6.372 ± 0.005 Å
• b: 12.724 ± 0.005 Å
• c: 14.478 ± 0.005 Å
• α: 90°
• β: 93.131 ± 0.005°
• γ: 90°
• Cell volume: 1172.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No