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Information card for entry 4518792
Preview
Coordinates | 4518792.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H67 B K O8 P2 Re |
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Calculated formula | C45 H67 B K O8 P2 Re |
Title of publication | C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride |
Authors of publication | Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B. |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 12 |
Pages of publication | 7394 - 7400 |
a | 12.9998 ± 0.0002 Å |
b | 29.3027 ± 0.0004 Å |
c | 14.5738 ± 0.0002 Å |
α | 90° |
β | 102.888 ± 0.001° |
γ | 90° |
Cell volume | 5411.73 ± 0.14 Å3 |
Cell temperature | 120.01 ± 0.1 K |
Ambient diffraction temperature | 120.01 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0297 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Weighted residual factors for all reflections included in the refinement | 0.0637 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
Diffraction radiation probe | x-ray |
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/4518792.html
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Users of the data should acknowledge the original authors of the
structural data.