Information card for entry 7130397

Structure parameters

• Formula: C12 H36 Br7 In N4 O2
• Calculated formula: C12 H36 Br7 In N4 O2
• Title of publication: 0D hybrid indium halides with highly efficient intrinsic broadband light emissions
• Authors of publication: Li, Dong-Yang; Sun, Yu-Ming; Xu, Zi-Yan; Xiao, Pan-Chao; Song, Jun-Hua; Lei, Xiao-Wu; Chen, Guang; Yue, Cheng-Yang
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.7222 ± 0.001 Å
• b: 12.5328 ± 0.0011 Å
• c: 9.6047 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1411 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No