Information card for entry 4301725

Structure parameters

• Formula: C21 H36 F12 Hg N4 P2 S2
• Calculated formula: C21 H36 F12 Hg N4 P2 S2
• SMILES: [Hg]1(Sc2ccc([N+](C)(C)C)cc2)(Sc2ccc([N+](C)(C)C)cc2)[NH2]CCC[NH2]1.[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: 10.122 ± 0.002 Å
• b: 13.077 ± 0.003 Å
• c: 14.296 ± 0.003 Å
• α: 111.01 ± 0.03°
• β: 96.34 ± 0.03°
• γ: 111.27 ± 0.03°
• Cell volume: 1582 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No