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Information card for entry 4082278
Preview
Coordinates | 4082278.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H37 Ir O P2 |
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Calculated formula | C22 H37 Ir O P2 |
SMILES | [Ir]12([P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C)C(C)(C)C)C#[O] |
Title of publication | Rational Design and Synthesis of Highly Active Pincer-Iridium Catalysts for Alkane Dehydrogenation |
Authors of publication | Kundu, Sabuj; Choliy, Yuriy; Zhuo, Gao; Ahuja, Ritu; Emge, Thomas J.; Warmuth, Ralf; Brookhart, Maurice; Krogh-Jespersen, Karsten; Goldman, Alan S. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 18 |
Pages of publication | 5432 - 5444 |
a | 11.4336 ± 0.001 Å |
b | 15.3744 ± 0.0013 Å |
c | 26.225 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4610 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0793 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.1769 |
Weighted residual factors for all reflections included in the refinement | 0.1922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 4070011 |
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/4082278.html
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Users of the data should acknowledge the original authors of the
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