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Information card for entry 7017131
Preview
Coordinates | 7017131.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H23 Cl4 Cu N3 S2 |
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Calculated formula | C31 H23 Cl4 Cu N3 S2 |
SMILES | [Cu]12(SC(=c3[n]2c(C(=[S]1)Nc1ccccc1)c(c3c1ccccc1)c1ccccc1)Nc1ccccc1)Cl.C(Cl)(Cl)Cl |
Title of publication | Further insight into the coordination of 2,5-dicarbothioamidopyrroles: the case of Cu and Co complexes. |
Authors of publication | Karagiannidis, Louise E.; Gale, Philip A.; Light, Mark E.; Massi, Massimiliano; Ogden, Mark I. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 45 |
Pages of publication | 12097 - 12105 |
a | 8.9827 ± 0.0001 Å |
b | 12.2046 ± 0.0002 Å |
c | 14.5977 ± 0.0002 Å |
α | 79.841 ± 0.001° |
β | 76.882 ± 0.001° |
γ | 84.981 ± 0.001° |
Cell volume | 1532.27 ± 0.04 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.059 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.0907 |
Weighted residual factors for all reflections included in the refinement | 0.0973 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/7017131.html
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