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Information card for entry 7113053
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Coordinates | 7113053.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Triscarbene-thiourea |
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Formula | C71 H98 N6 S3 |
Calculated formula | C74 H100 N6 S3 |
Title of publication | Cerberus-type N-heterocyclic carbenes: synthesis and study of the first tritopic carbenes with D(3h)-symmetry. |
Authors of publication | Williams, Kyle A.; Bielawski, Christopher W. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 28 |
Pages of publication | 5166 - 5168 |
a | 23.074 ± 0.003 Å |
b | 19.486 ± 0.002 Å |
c | 14.463 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6502.9 ± 1.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.2224 |
Residual factor for significantly intense reflections | 0.1391 |
Weighted residual factors for significantly intense reflections | 0.273 |
Weighted residual factors for all reflections included in the refinement | 0.3295 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 0.71069 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/7113053.html
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Users of the data should acknowledge the original authors of the
structural data.