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Information card for entry 4341908
Preview
| Coordinates | 4341908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H22 F7 Ir N4 |
|---|---|
| Calculated formula | C37 H22 F7 Ir N4 |
| SMILES | C12=[Ir]34(c5c(ccc(c5)C(F)(F)F)N2c2c(cccc2)N1C)(c1cc(cc(c1c1cccc[n]31)F)F)c1cc(cc(c1c1cccc[n]41)F)F |
| Title of publication | N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes. |
| Authors of publication | Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 161 - 173 |
| a | 10.9497 ± 0.0009 Å |
| b | 14.5417 ± 0.0012 Å |
| c | 20.579 ± 0.0017 Å |
| α | 90° |
| β | 103.313 ± 0.001° |
| γ | 90° |
| Cell volume | 3188.7 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0763 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179522 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19. |
4341908.cif |
| 130599 | 2015-02-04 | cif/ Updating files of 4341905, 4341906, 4341907, 4341908, 4341909, 4341910, 4341911, 4341912, 4341913, 4341914 Original log message: Adding full bibliography for 4341905--4341914.cif. |
4341908.cif |
| 128616 | 2014-12-13 | cif/ Adding structures of 4341908 via cif-deposit CGI script. |
4341908.cif |
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