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Information card for entry 7710238
Preview
Coordinates | 7710238.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H32 Cl2 Hg2 N4 P2 S2 |
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Calculated formula | C41 H32 Cl2 Hg2 N4 P2 S2 |
SMILES | c12S[Hg](N(c1ccc(Cl)c2)C#N)[P](c1ccccc1)(c1ccccc1)CCC[P]([Hg]1Sc2c(N1C#N)ccc(Cl)c2)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis, structure and reactivity with phosphines of Hg(ii) ortho-cyano-aminothiophenolate complexes formed via C–S bond cleavage and dehydrogenation of 2-aminobenzothiazoles |
Authors of publication | Al-Jibori, Subhi A.; Irzoqi, Ahmed A.; Al-Janabi, Ahmed S. M.; Al-Nassiry, Amenah I. A.; Basak-Modi, Sucharita; Ghosh, Shishir; Wagner, Christoph; Hogarth, Graeme |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 12.4945 ± 0.0007 Å |
b | 13.6153 ± 0.0007 Å |
c | 13.7342 ± 0.0007 Å |
α | 72.695 ± 0.004° |
β | 83.393 ± 0.004° |
γ | 65.524 ± 0.004° |
Cell volume | 2030.1 ± 0.2 Å3 |
Cell temperature | 213 K |
Ambient diffraction temperature | 213 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0719 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1124 |
Weighted residual factors for all reflections included in the refinement | 0.1295 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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