Information card for entry 4301718

Structure parameters

• Formula: C31 H41 F12 Hg N5 O P2 S2
• Calculated formula: C31 H41 F12 Hg N5 O P2 S2
• SMILES: [Hg]1(Sc2ccc([N+](C)(C)C)cc2)(Sc2ccc([N+](C)(C)C)cc2)[n]2ccccc2c2[n]1cccc2.N(C=O)(C)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: 6.0902 ± 0.0012 Å
• b: 16.108 ± 0.003 Å
• c: 19.95 ± 0.004 Å
• α: 89.79 ± 0.03°
• β: 85.98 ± 0.03°
• γ: 79.55 ± 0.03°
• Cell volume: 1919.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No