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Information card for entry 4341906
Preview
Coordinates | 4341906.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H20 F7 Ir N4 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4341906.html
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Users of the data should acknowledge the original authors of the
structural data.