Information card for entry 7700203

Structure parameters

• Formula: C5 H10 N2 Se
• Calculated formula: C5 H10 N2 Se
• Title of publication: Systematic study on anion-cation interactions via doubly ionic H-bonds in 1,3-dimethylimidazolium salts comprising chalcogenolate anions MMIm [ER] (E = S, Se; R = H, tBu, SiMe₃).
• Authors of publication: Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 10971 - 10978
• a: 9.1327 ± 0.001 Å
• b: 7.809 ± 0.0005 Å
• c: 10.9949 ± 0.0012 Å
• α: 90°
• β: 101.428 ± 0.009°
• γ: 90°
• Cell volume: 768.58 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No