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Information card for entry 7247612
Preview
Coordinates | 7247612.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H32 Cl5 F3 Ir N2 P |
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Calculated formula | C42 H32 Cl5 F3 Ir N2 P |
SMILES | [Ir]12(Cl)([P](c3ccc(F)cc3)(c3ccc(F)cc3)c3ccc(F)cc3)([n]3ccccc3c3ccccc13)[n]1c(c3c2cccc3)cccc1.C(Cl)Cl.C(Cl)Cl |
Title of publication | Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions |
Authors of publication | Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der |
Journal of publication | RSC Advances |
Year of publication | 2023 |
Journal volume | 13 |
Journal issue | 45 |
Pages of publication | 31948 - 31961 |
a | 11.25 ± 0.013 Å |
b | 13.317 ± 0.016 Å |
c | 14.035 ± 0.017 Å |
α | 84.55 ± 0.03° |
β | 74.18 ± 0.03° |
γ | 83.1 ± 0.03° |
Cell volume | 2004 ± 4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1289 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.0736 |
Weighted residual factors for all reflections included in the refinement | 0.0882 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
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/7247612.html
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Users of the data should acknowledge the original authors of the
structural data.