Information card for entry 7018258

Structure parameters

• Formula: C19 H29 F6 Hg N2 P S2
• Calculated formula: C19 H29 F6 Hg N2 P S2
• SMILES: [Hg](Sc1ccc([N+](C)(C)C)cc1)(Sc1ccc([N+](C)(C)C)cc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reactions of a methylmercury zwitterionic thiolate complex [MeHg(Tab)]PF(6) with various donor ligands: relevance to methylmercury detoxification.
• Authors of publication: Zheng, Ai-Xia; Li, Hong-Xi; Hou, Kai-Peng; Shi, Jing; Wang, Hui-Fang; Ren, Zhi-Gang; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2699 - 2706
• a: 17.975 ± 0.004 Å
• b: 11.308 ± 0.002 Å
• c: 12.905 ± 0.003 Å
• α: 90°
• β: 105.36 ± 0.03°
• γ: 90°
• Cell volume: 2529.4 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No