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Information card for entry 4070014
Preview
Coordinates | 4070014.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H70 Cl2.5 Ir2 P4 |
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Calculated formula | C42 H70 Cl2.5 Ir2 P4 |
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 | 13.002 ± 0.0008 Å |
b | 13.2438 ± 0.0008 Å |
c | 15.2801 ± 0.0009 Å |
α | 73.763 ± 0.001° |
β | 69.237 ± 0.001° |
γ | 85.265 ± 0.001° |
Cell volume | 2361.8 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0279 |
Residual factor for significantly intense reflections | 0.0234 |
Weighted residual factors for significantly intense reflections | 0.0538 |
Weighted residual factors for all reflections included in the refinement | 0.0558 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/4070014.html
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Users of the data should acknowledge the original authors of the
structural data.