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Information card for entry 4068994
Preview
Coordinates | 4068994.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H49 Cl Ir N P2 |
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Calculated formula | C27 H49 Cl Ir N P2 |
SMILES | [IrH]1(Cl)([P](C(C1)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]1cccc2ccccc12 |
Title of publication | NH-Tautomerization of Quinolines and 2-Methylpyridine Promoted by a Hydride-Iridium(III) Complex: Importance of the Hydride Ligand |
Authors of publication | Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oliván, Montserrat; Oñate, Enrique |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 7 |
Pages of publication | 2276 |
a | 10.435 ± 0.003 Å |
b | 11.908 ± 0.003 Å |
c | 12.635 ± 0.004 Å |
α | 73.086 ± 0.004° |
β | 88.357 ± 0.005° |
γ | 76.943 ± 0.005° |
Cell volume | 1462.1 ± 0.7 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 | 0.052 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0491 |
Weighted residual factors for all reflections included in the refinement | 0.0522 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
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/4068994.html
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