Information card for entry 4301720

Structure parameters

• Formula: C26 H38 F12 Hg N6 P2 S2
• Calculated formula: C26 H38 F12 Hg N6 P2 S2
• SMILES: [Hg](Sc1ccc([N+](C)(C)C)cc1)(Sc1ccc([N+](C)(C)C)cc1)([n]1cn(cc1)C)[n]1cn(cc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Interactions of a Cationic Mercury(II) Thiolate Complex [Hg(Tab)2](PF6)2 with N-Donor Ligands
• Authors of publication: Xiao-Yan Tang; Rong-Xin Yuan; Zhi-Gang Ren; Hong-Xi Li; Yong Zhang; Jian-Ping Lang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2639 - 2651
• a: 5.8189 ± 0.0012 Å
• b: 17.263 ± 0.003 Å
• c: 19.112 ± 0.004 Å
• α: 67.23 ± 0.03°
• β: 89.83 ± 0.03°
• γ: 89.33 ± 0.03°
• Cell volume: 1770.1 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0488
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No