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Information card for entry 4081682
Preview
Coordinates | 4081682.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H28 B F4 N O6 P Re |
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Calculated formula | C30 H28 B F4 N O6 P Re |
SMILES | N#CC.[B](F)(F)(F)[F-].[P]([Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(c1c(O)c(cc(C)c1)C(C)(C)C)(c1ccccc1)c1ccccc1 |
Title of publication | A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere |
Authors of publication | Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5530 |
a | 10.9084 ± 0.0006 Å |
b | 25.6184 ± 0.0013 Å |
c | 12.0556 ± 0.0007 Å |
α | 90° |
β | 112.735 ± 0.002° |
γ | 90° |
Cell volume | 3107.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0273 |
Residual factor for significantly intense reflections | 0.0232 |
Weighted residual factors for significantly intense reflections | 0.0466 |
Weighted residual factors for all reflections included in the refinement | 0.0475 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
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/4081682.html
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Users of the data should acknowledge the original authors of the
structural data.