Information card for entry 4519191

Structure parameters

• Formula: C24 H75 Br17 Cu12 K6 O14 S12
• Calculated formula: C18 H56.9988 Br16.9996 Cu12 K6 O13.998 S8.64
• Title of publication: Tuning the Self-Trapped Emission: Reversible Transformation to 0D Copper Clusters Permits Bright Red Emission in Potassium and Rubidium Copper Bromides
• Authors of publication: Li, Yanyan; Zhou, Zhicong; Sheong, Fu Kit; Xing, Zengshan; Lortz, Rolf; Wong, Kam Sing; Sung, Herman H. Y.; Williams, Ian D.; Halpert, Jonathan E.
• Journal of publication: ACS Energy Letters
• Year of publication: 2021
• Pages of publication: 4383 - 4389
• a: 13.3012 ± 0.0003 Å
• b: 13.3012 ± 0.0003 Å
• c: 13.3012 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2353.27 ± 0.09 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.2075
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No