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Information card for entry 4518791
Preview
Coordinates | 4518791.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H60 P4 Re2 |
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Calculated formula | C54 H60 P4 Re2 |
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 | 9.3814 ± 0.0001 Å |
b | 12.2395 ± 0.0002 Å |
c | 21.7629 ± 0.0003 Å |
α | 85.937 ± 0.001° |
β | 85.118 ± 0.001° |
γ | 71.918 ± 0.002° |
Cell volume | 2364.26 ± 0.06 Å3 |
Cell temperature | 120.01 ± 0.1 K |
Ambient diffraction temperature | 120.01 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0549 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.0683 |
Weighted residual factors for all reflections included in the refinement | 0.072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
Diffraction radiation probe | x-ray |
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/4518791.html
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structural data.