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Information card for entry 4081907
Preview
Coordinates | 4081907.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H26 Cl4 Ir N O4 |
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Calculated formula | C21 H26 Cl4 Ir N O4 |
SMILES | [Ir]1234([n]5c(C(=O)O1)ccc1cccc(O2)c51)([OH]C)C1CCC[CH]3=[CH]4CC1.C(Cl)Cl.C(Cl)Cl |
Title of publication | Unsaturated Iridium(III) Complexes Supported by a Quinolato‒Carboxylato ONO Pincer-Type Ligand: Synthesis, Reactivity, and Catalytic C‒H Functionalization |
Authors of publication | Nguyen, Duc Hanh; Pérez-Torrente, Jesús J.; Jiménez, M. Victoria; Modrego, F. Javier; Gómez-Bautista, Daniel; Lahoz, Fernando J.; Oro, Luis A. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 23 |
Pages of publication | 6918 |
a | 10.095 ± 0.0007 Å |
b | 11.0369 ± 0.0008 Å |
c | 12.0268 ± 0.0009 Å |
α | 98.163 ± 0.001° |
β | 113.81 ± 0.001° |
γ | 100.938 ± 0.001° |
Cell volume | 1167.49 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0274 |
Residual factor for significantly intense reflections | 0.0257 |
Weighted residual factors for significantly intense reflections | 0.0634 |
Weighted residual factors for all reflections included in the refinement | 0.0641 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
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/4081907.html
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Users of the data should acknowledge the original authors of the
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