Information card for entry 4346555

Structure parameters

• Common name: [BMPyr]2S3
• Chemical name: Bis(N-butyl-N-methylpyrrolidinium)-triselenide
• Formula: C36 H80 N4 Se6
• Calculated formula: C36 H80 N4 Se6
• 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: 14.0988 ± 0.0008 Å
• b: 24.8538 ± 0.0012 Å
• c: 14.4105 ± 0.0008 Å
• α: 90°
• β: 116.435 ± 0.002°
• γ: 90°
• Cell volume: 4521.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No