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Information card for entry 4088974
Preview
Coordinates | 4088974.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | formate |
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Formula | C45 H32 F20 N6 O6 Re2 |
Calculated formula | C45 H32 F20 N6 O6 Re2 |
Title of publication | Mechanism for the Reaction of CO with Oxorhenium Hydrides: Migratory Insertion of CO into Rhenium Hydride and Formyl Bonds leads to Migration from Rhenium to the Oxo Ligand |
Authors of publication | Lambic, Nikola S.; Lilly, Cassandra P.; Sommer, Roger D.; Ison, Elon A. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 17 |
Pages of publication | 3060 |
a | 8.743 ± 0.0002 Å |
b | 24.9855 ± 0.0007 Å |
c | 23.0492 ± 0.0007 Å |
α | 90° |
β | 97.036 ± 0.001° |
γ | 90° |
Cell volume | 4997.1 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0541 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0797 |
Weighted residual factors for all reflections included in the refinement | 0.0824 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.267 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4088974.html
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Users of the data should acknowledge the original authors of the
structural data.