Information card for entry 7710235

Structure parameters

• Formula: C52 H42 Hg2 N4 P2 S2
• Calculated formula: C52 H42 Hg2 N4 P2 S2
• 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: 9.5001 ± 0.0005 Å
• b: 11.3813 ± 0.0006 Å
• c: 12.3018 ± 0.0006 Å
• α: 111.211 ± 0.004°
• β: 92.649 ± 0.004°
• γ: 104.909 ± 0.004°
• Cell volume: 1183.85 ± 0.12 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 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: 0.0374
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No