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Information card for entry 7243530
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Coordinates | 7243530.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H17 Cu F2 I N3 |
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Calculated formula | C18 H17 Cu F2 I N3 |
Title of publication | Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations |
Authors of publication | Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. |
Journal of publication | RSC Advances |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 49 |
Pages of publication | 30841 - 30848 |
a | 10.4747 ± 0.0002 Å |
b | 16.568 ± 0.0004 Å |
c | 23.0336 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3997.36 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0495 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/7243530.html
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Users of the data should acknowledge the original authors of the
structural data.