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Information card for entry 7010268
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Coordinates | 7010268.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 00skl033 |
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Chemical name | 3-tert-butyl-1-(4,6-di-tertbutyl-o-toluidyl-phenylimine)- imidazol-2-ylidene silver bromide |
Formula | C29 H39 Ag Cl N3 |
Calculated formula | C29 H39 Ag Cl N3 |
SMILES | [Ag](Cl)=C1N(C=CN1C(C)(C)C)Cc1cc(cc(c1/N=C/c1ccccc1)C(C)(C)C)C(C)(C)C |
Title of publication | N-Functionalised heterocyclic carbene complexes of silver |
Authors of publication | Tulloch, Arran A. D.; Danopoulos, Andreas A.; Winston, Scott; Kleinhenz, Sven; Eastham, Graham |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2000 |
Journal issue | 24 |
Pages of publication | 4499 |
a | 9.6884 ± 0.0002 Å |
b | 11.4709 ± 0.0002 Å |
c | 13.775 ± 0.0002 Å |
α | 71.937 ± 0.001° |
β | 85.779 ± 0.001° |
γ | 76.949 ± 0.001° |
Cell volume | 1417.83 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0626 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/7010268.html
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