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Information card for entry 4517373
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Coordinates | 4517373.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 19092_AlCoH |
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Formula | C42 H64 Al Co N4 P3 |
Calculated formula | C42 H64 Al Co N4 P3 |
SMILES | [CoH]123[P](CN4[Al]561[N](c1ccccc41)(c1ccccc1N5C[P]3(C(C)C)C(C)C)c1ccccc1N6C[P]2(C(C)C)C(C)C)(C(C)C)C(C)C.c1ccccc1 |
Title of publication | Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle |
Authors of publication | Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C. |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 2459 - 2470 |
a | 12.329 ± 0.006 Å |
b | 27.522 ± 0.013 Å |
c | 12.652 ± 0.007 Å |
α | 90° |
β | 105.97 ± 0.02° |
γ | 90° |
Cell volume | 4127 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.101 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.0961 |
Weighted residual factors for all reflections included in the refinement | 0.1101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4517373.html
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