Information card for entry 7035645

Structure parameters

• Formula: C36 H34 Hg N2 P2 S
• Calculated formula: C36 H34 Hg N2 P2 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: 10.7428 ± 0.0007 Å
• b: 11.9618 ± 0.0007 Å
• c: 14.014 ± 0.0009 Å
• α: 72.356 ± 0.005°
• β: 72.063 ± 0.005°
• γ: 88.36 ± 0.005°
• Cell volume: 1628.55 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0853
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.698
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No