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Information card for entry 4087858
Preview
Coordinates | 4087858.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H47 Cl5 F6 Ir N2 P3 |
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Calculated formula | C56 H47 Cl5 F6 Ir N2 P3 |
SMILES | [Ir]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(C=C([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3c2cccc3)[n]2c(cccc2)c2cccc[n]12.[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl |
Title of publication | Sequential Construction Strategy for Rational Design of Luminescent Iridacycles |
Authors of publication | Xu, Hui; Huang, Zi-Ao; Guo, Xugeng; Yang, Yuhui; Hua, Yuhui; Cao, Zexing; Li, Shunhua; Xia, Haiping |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 17 |
Pages of publication | 4229 |
a | 11.2574 ± 0.0003 Å |
b | 23.5951 ± 0.0006 Å |
c | 20.7165 ± 0.0006 Å |
α | 90° |
β | 91.047 ± 0.001° |
γ | 90° |
Cell volume | 5501.8 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0808 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1392 |
Weighted residual factors for all reflections included in the refinement | 0.1611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
Diffraction radiation wavelength | 0.71073 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/4087858.html
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