Information card for entry 4342961

Structure parameters

• Chemical name: dimethyl hexaselenium diimide-octaselenium(2/1)
• Formula: C2 H6 N2 Se10
• Calculated formula: C2 H6 N2 Se10
• 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: 12 ± 0.002 Å
• b: 5.6347 ± 0.0011 Å
• c: 23.631 ± 0.005 Å
• α: 90°
• β: 90.07 ± 0.03°
• γ: 90°
• Cell volume: 1597.8 ± 0.5 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: 0.1969
• Residual factor for significantly intense reflections: 0.1207
• Weighted residual factors for significantly intense reflections: 0.2737
• Weighted residual factors for all reflections included in the refinement: 0.3149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No