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Information card for entry 4341908
Preview
Coordinates | 4341908.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H22 F7 Ir N4 |
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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 |
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The link is: https://www.crystallography.net/4341908.html
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