Information card for entry 4002854

Structure parameters

• Chemical name: 'tetrakis(butane-1,4-bis(dimethylsulfonium)) octadecabromopentaplumbate dimethylformamide dimethylsulfoxide solvate'
• Formula: C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29
• Calculated formula: C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29
• 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: 10.5009 ± 0.0005 Å
• b: 11.9576 ± 0.0005 Å
• c: 17.2362 ± 0.0007 Å
• α: 80.684 ± 0.002°
• β: 76.252 ± 0.002°
• γ: 88.259 ± 0.002°
• Cell volume: 2074.47 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No