Information card for entry 4346552

Structure parameters

• Common name: [DMPyr][TMS-Se], 5
• Chemical name: N,N-Dimethylpyrrolidinium-trimethylsilylselenolate
• Formula: C9 H23 N Se Si
• Calculated formula: C9 H23 N Se Si
• SMILES: [Se-][Si](C)(C)C.[N+]1(C)(CCCC1)C
• Title of publication: Synthesis of organic (trimethylsilyl)chalcogenolate salts Cat[TMS-E] (E = S, Se, Te): the methylcarbonate anion as a desilylating agent.
• Authors of publication: Finger, Lars H.; Scheibe, Benjamin; Sundermeyer, Jörg
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9568 - 9575
• a: 12.25 ± 0.0008 Å
• b: 10.8215 ± 0.0007 Å
• c: 19.3331 ± 0.0012 Å
• α: 90°
• β: 90.166 ± 0.003°
• γ: 90°
• Cell volume: 2562.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No