Information card for entry 7035643

Structure parameters

• Formula: C25 H19 Hg N2 P S
• Calculated formula: C25 H19 Hg N2 P S
• Title of publication: Formation of ortho-cyano-aminothiophenolate ligands with versatile binding modes via facile carbon-sulfur bond cleavage of 2-aminobenzothiazoles at mercury(ii) centres.
• Authors of publication: Al-Jibori, Subhi A; Irzoqi, Ahmed A.; Al-Saraj, Emad G H; Al-Janabi, Ahmed S M; Basak-Modi, Sucharita; Ghosh, Shishir; Merzweiler, Kurt; Wagner, Christoph; Schmidt, Harry; Hogarth, Graeme
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14217 - 14219
• a: 8.955 ± 0.003 Å
• b: 10.643 ± 0.004 Å
• c: 12.059 ± 0.004 Å
• α: 103.936 ± 0.005°
• β: 102.011 ± 0.005°
• γ: 101.091 ± 0.005°
• Cell volume: 1054.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No