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Information card for entry 4514252
Preview
Coordinates | 4514252.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H32 Cl Ir N O7 P2 |
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Calculated formula | C44 H32 Cl Ir N O7 P2 |
Title of publication | Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study |
Authors of publication | Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri |
Journal of publication | ACS Catalysis |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 12 |
Pages of publication | 8139 |
a | 13.554 ± 0.002 Å |
b | 25.997 ± 0.004 Å |
c | 13.478 ± 0.002 Å |
α | 90° |
β | 108.116 ± 0.002° |
γ | 90° |
Cell volume | 4513.7 ± 1.2 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.082 |
Residual factor for significantly intense reflections | 0.0787 |
Weighted residual factors for significantly intense reflections | 0.1748 |
Weighted residual factors for all reflections included in the refinement | 0.1765 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.304 |
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/4514252.html
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structural data.