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Information card for entry 7019918
Preview
Coordinates | 7019918.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C73 H47 Cl0 F10 Ir N11 O4 P |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7019918.html
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Users of the data should acknowledge the original authors of the
structural data.