Information card for entry 7019918

Structure parameters

• Formula: C73 H47 Cl0 F10 Ir N11 O4 P
• Calculated formula: C73 H47 F10 Ir N11 O4 P
• SMILES: c12cc(cc(c1n1ccc[n]1[Ir]132(c2cc(F)cc(c2n2ccc[n]12)F)[n]1ccccc1c1[n]3c(c2ccccc2)nn1c1ccc(cc1)N(c1ccc(cc1)n1c2ccccc2c2ccccc12)c1ccc(cc1)n1c2ccccc2c2ccccc12)F)F.[P](F)(F)(F)(F)(F)[F-].O.O.O.O
• Title of publication: Piezochromic luminescent (PCL) behavior and aggregation-induced emission (AIE) property of a new cationic iridium(iii) complex.
• Authors of publication: Shan, Guo-Gang; Li, Hai-Bin; Qin, Jun-Sheng; Zhu, Dong-Xia; Liao, Yi; Su, Zhong-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9590 - 9593
• a: 13.08 ± 0.005 Å
• b: 13.594 ± 0.005 Å
• c: 23.084 ± 0.005 Å
• α: 77.078 ± 0.005°
• β: 80.701 ± 0.005°
• γ: 61.405 ± 0.005°
• Cell volume: 3505 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No