Information card for entry 4002855

Structure parameters

• Chemical name: tetrakis(trimethylsulfonium) decabromotriplumbate
• Formula: C12 H36 Br10 Pb3 S4
• Calculated formula: C12 H36 Br10 Pb3 S4
• Title of publication: Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids
• Authors of publication: Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 7083
• a: 11.4104 ± 0.0005 Å
• b: 9.2728 ± 0.0004 Å
• c: 18.5164 ± 0.0008 Å
• α: 90°
• β: 97.622 ± 0.002°
• γ: 90°
• Cell volume: 1941.84 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No