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Information card for entry 4341906
Preview
| Coordinates | 4341906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H20 F7 Ir N4 |
|---|---|
| Calculated formula | C33 H20 F7 Ir N4 |
| SMILES | Fc1c2c([Ir]34(c5cc(F)cc(c5c5[n]3cccc5)F)(=C3N(C=CN3c3c4ccc(C(F)(F)F)c3)C)[n]3c2cccc3)cc(F)c1 |
| 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 | 9.647 ± 0.002 Å |
| b | 11.873 ± 0.003 Å |
| c | 12.47 ± 0.003 Å |
| α | 81.499 ± 0.004° |
| β | 85.223 ± 0.004° |
| γ | 86.396 ± 0.003° |
| Cell volume | 1405.8 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1461 |
| Weighted residual factors for all reflections included in the refinement | 0.1725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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. |
4341906.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. |
4341906.cif |
| 128614 | 2014-12-13 | cif/ Adding structures of 4341906 via cif-deposit CGI script. |
4341906.cif |
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Users of the data should acknowledge the original authors of the
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