Information card for entry 7249070

Structure parameters

• Formula: C3.158 H1.965 Cl0.281 N0.281 O0.07
• Calculated formula: C3.15789 H1.96491 Cl0.280702 N0.280702 O0.0701754
• Title of publication: Hybridization of short-range and long-range charge transfer boosts room-temperature phosphorescence performance
• Authors of publication: Li, Tian-Miao; Hu, Li-Yuan; Zou, Xin; Wang, Jun-Yi; Ni, Sheng; Liu, Lei; Xiao, Xunwen; Luo, Xu-Feng
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 31
• Pages of publication: 22763 - 22768
• a: 14.941 ± 0.002 Å
• b: 30.117 ± 0.005 Å
• c: 8.434 ± 0.0013 Å
• α: 90°
• β: 102.447 ± 0.004°
• γ: 90°
• Cell volume: 3705.9 ± 1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No