Information card for entry 7117604

Structure parameters

• Formula: C58 H44 F20 Ir2 N12 O P2
• Calculated formula: C54 H34 F20 Ir2 N12 P2
• SMILES: c1c(ccc(c1)[N]1=Cc2cccc[n]2[Ir]231([n]1n(ccc1)c1c(F)cc(F)cc21)[n]1n(ccc1)c1c(F)cc(F)cc31)[N]1[Ir]23([n]4n(ccc4)c4c(F)cc(cc24)F)([n]2n(ccc2)c2c(F)cc(F)cc32)[n]2c(C=1)cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: New AIE-active dinuclear Ir(iii) complexes with reversible piezochromic phosphorescence behaviour.
• Authors of publication: Li, Guangfu; Ren, Xinyao; Shan, Guogang; Che, Weilong; Zhu, Dongxia; Yan, Likai; Su, Zhongmin; Bryce, Martin R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 65
• Pages of publication: 13036 - 13039
• a: 9.382 ± 0.0019 Å
• b: 13.771 ± 0.003 Å
• c: 14.966 ± 0.003 Å
• α: 63 ± 0.03°
• β: 76.75 ± 0.03°
• γ: 82.82 ± 0.03°
• Cell volume: 1676.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No