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Information card for entry 4516739
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Coordinates | 4516739.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [(dmpbz)2Co(CH3CN)2][BF4]2,(CH3CN)2 |
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Formula | C28 H44 B2 Co F8 N4 P4 |
Calculated formula | C28 H44 B2 Co F8 N4 P4 |
SMILES | [B](F)(F)(F)[F-].c12ccccc1[P](C)(C)[Co]1([N]#CC)([N]#CC)([P]2(C)C)[P](c2ccccc2[P]1(C)C)(C)C.N#CC.[B](F)(F)(F)[F-].N#CC |
Title of publication | Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis |
Authors of publication | Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C. |
Journal of publication | ACS Catalysis |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 9 |
Pages of publication | 6008 |
a | 10.0889 ± 0.0005 Å |
b | 10.4012 ± 0.0005 Å |
c | 10.9505 ± 0.0006 Å |
α | 114.987 ± 0.003° |
β | 111.721 ± 0.002° |
γ | 93.719 ± 0.003° |
Cell volume | 933.62 ± 0.09 Å3 |
Cell temperature | 140 K |
Ambient diffraction temperature | 140 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4516739.html
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