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Information card for entry 4087852
Preview
Coordinates | 4087852.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H53 B Cl4 F4 Ir O P3 |
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Calculated formula | C64 H53 B Cl4 F4 Ir O P3 |
SMILES | [IrH](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(/C=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1)C#[O].[B](F)(F)(F)[F-].ClC(Cl)Cl |
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 | 13.1108 ± 0.0003 Å |
b | 15.3741 ± 0.0003 Å |
c | 15.5758 ± 0.0006 Å |
α | 70.796 ± 0.002° |
β | 74.737 ± 0.002° |
γ | 85.671 ± 0.002° |
Cell volume | 2860.07 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0376 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0754 |
Weighted residual factors for all reflections included in the refinement | 0.0773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4087852.html
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