Information card for entry 4301327

Structure parameters

• Formula: C4 H13 Bi I5 N S
• Calculated formula: C4 H13 Bi I5 N S
• Title of publication: α- to β-(dmes)BiI5 (dmes = Dimethyl(2-ethylammonium)sulfonium Dication): Umbrella Reversal of Sulfonium in the Solid State and Short I...I Interchain Contacts-Crystal Structures, Optical Properties, and Theoretical Investigations of 1D Iodobismuthates
• Authors of publication: Nicolas Louvain; Nicolas Mercier; Florent Boucher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 879 - 888
• a: 8.4752 ± 0.0003 Å
• b: 12.6137 ± 0.0015 Å
• c: 16.385 ± 0.002 Å
• α: 90 ± 0.011°
• β: 90 ± 0.007°
• γ: 90 ± 0.007°
• Cell volume: 1751.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No