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Information card for entry 7113923
Preview
Coordinates | 7113923.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H41 Cl Cu N O P2 S |
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Calculated formula | C45 H41 Cl Cu N O P2 S |
SMILES | [Cu](Cl)([S]=C(OCC)Nc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Investigation of putative arene-C-H...pi(quasi-chelate ring) interactions in copper(I) crystal structures |
Authors of publication | Chien Ing Yeo; Siti Nadiah Abdul Halim; Seik Weng Ng; Seng Lim Tan; Julio Zukerman-Schpector; Marco A. B. Ferreira; Edward R. T. Tiekink |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 5984 |
a | 10.1419 ± 0.0003 Å |
b | 13.0254 ± 0.0005 Å |
c | 15.2772 ± 0.0003 Å |
α | 84.35 ± 0.003° |
β | 76.69 ± 0.002° |
γ | 84.824 ± 0.003° |
Cell volume | 1949.64 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0793 |
Weighted residual factors for all reflections included in the refinement | 0.0859 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
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/7113923.html
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Users of the data should acknowledge the original authors of the
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