Information card for entry 4324220

Structure parameters

• Formula: C38 H56 F12 Hg2 N4 O6 P2 S4
• Calculated formula: C38 H56 F12 Hg2 N4 O6 P2 S4
• SMILES: [P](F)(F)(F)(F)(F)[F-].[N+](c1ccc(S[Hg]([O]=C(O[Hg](Sc2ccc(cc2)[N+](C)(C)C)Sc2ccc([N+](C)(C)C)cc2)C(=O)[O-])Sc2ccc(cc2)[N+](C)(C)C)cc1)(C)(C)C.O.[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions
• Authors of publication: Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 503 - 516
• a: 33.884 ± 0.007 Å
• b: 7.6754 ± 0.0015 Å
• c: 22.789 ± 0.005 Å
• α: 90°
• β: 119.33 ± 0.03°
• γ: 90°
• Cell volume: 5167 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No