Information card for entry 7207313

Structure parameters

• Formula: C37 H26 Cl2 F6 Ir N4 O2 P
• Calculated formula: C37 H26 Cl2 F6 Ir N4 O2 P
• SMILES: [Ir]123([n]4c(c5c2cc(cc5)C=O)cccc4)([n]2c(c4c3cc(cc4)C=O)cccc2)[n]2cccc3c2c2[n]1cccc2cc3.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Iridium complex triggered white-light-emitting gel and its response to cysteine
• Authors of publication: Cao, Xinhua; Wu, Yongquan; Liu, Keyin; Yu, Xudong; Wu, Bo; Wu, Huazhou; Gong, Zuguang; Yi, Tao
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 2650
• a: 19.033 ± 0.005 Å
• b: 14.272 ± 0.004 Å
• c: 26.672 ± 0.007 Å
• α: 90°
• β: 94.787 ± 0.004°
• γ: 90°
• Cell volume: 7220 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No