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Information card for entry 1543134
Preview
| Coordinates | 1543134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | IrPyr |
|---|---|
| Chemical name | YC49 |
| Formula | C63 H46 Cl12 F6 Ir N4 P |
| Calculated formula | C63 H46 Cl12 F6 Ir N4 P |
| SMILES | [n]12c(cc(cc1)CCc1ccc3c4c1ccc1c4c(ccc1)cc3)c1[n](ccc(c1)C)[Ir]132([n]2c(cccc2)c2c1ccc1c2cccc1)[n]1c(cccc1)c1c3ccc2c1cccc2.[P](F)(F)(F)(F)(F)[F-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | High performance optical oxygen sensors based on iridium complexes exhibiting interchromophore energy shuttling. |
| Authors of publication | Medina-Rodríguez, Santiago; Denisov, Sergey A.; Cudré, Yanouk; Male, Louise; Marín-Suárez, Marta; Fernández-Gutiérrez, Alberto; Fernández-Sánchez, Jorge F; Tron, Arnaud; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Baranoff, Etienne |
| Journal of publication | The Analyst |
| Year of publication | 2016 |
| Journal volume | 141 |
| Journal issue | 10 |
| Pages of publication | 3090 - 3097 |
| a | 19.7764 ± 0.0014 Å |
| b | 17.2133 ± 0.0011 Å |
| c | 20.4799 ± 0.0014 Å |
| α | 90° |
| β | 115.774 ± 0.002° |
| γ | 90° |
| Cell volume | 6278.1 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0901 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.1897 |
| Weighted residual factors for all reflections included in the refinement | 0.2063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183710 (current) | 2016-06-18 | cif/ Updating files of 1543134, 1543135 Original log message: Adding full bibliography for 1543134--1543135.cif. |
1543134.cif |
| 182167 | 2016-04-16 | cif/ Adding structures of 1543134, 1543135 via cif-deposit CGI script. |
1543134.cif |
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