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Information card for entry 7010265
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Coordinates | 7010265.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 00skl020 |
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Chemical name | 3-(2,6-di-isopropylphenyl)-1-(2-picolyl)-imidazol-2-ylidene silver bromide |
Formula | C42 H50 Ag2 Br2 N6 |
Calculated formula | C42 H50 Ag2 Br2 N6 |
SMILES | [Ag](=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1Cc1[n]([Ag](Br)Br)cccc1)=C1N(C=CN1Cc1ncccc1)c1c(C(C)C)cccc1C(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 | 12.7737 ± 0.0001 Å |
b | 16.553 ± 0.0001 Å |
c | 20.1344 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4257.28 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P 21 n b |
Hall space group symbol | P -2bc 2a |
Residual factor for all reflections | 0.0504 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0897 |
Weighted residual factors for all reflections included in the refinement | 0.0998 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/7010265.html
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