Information card for entry 7237520

Structure parameters

• Formula: C38 H28 F6 Ir N8 P
• Calculated formula: C38 H28 F6 Ir N8 P
• Title of publication: New cationic Ir(iii) complexes without “any soft substituents”: aggregation-induced emission and piezochromic luminescence
• Authors of publication: Wang, Yue; Yang, Tianzhi; Liu, Xingman; Li, Guangfu; Che, Weilong; Zhu, Dongxia; Su, Zhongmin
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 45
• Pages of publication: 12217
• a: 14.458 ± 0.004 Å
• b: 15.043 ± 0.004 Å
• c: 16.466 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3581.2 ± 1.8 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No