Information card for entry 7710238

Structure parameters

• Formula: C41 H32 Cl2 Hg2 N4 P2 S2
• 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 ų
• 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