Information card for entry 7019024

Structure parameters

• Formula: C60 H96 F24 Hg2 N8 O4 P4 S6
• Calculated formula: C60 H96 F24 Hg2 N8 O4 P4 S6
• SMILES: c1cc([S]2[Hg](Sc3ccc([N+](C)(C)C)cc3)(Sc3ccc([N+](C)(C)C)cc3)[S](c3ccc(cc3)[N+](C)(C)C)[Hg]2(Sc2ccc([N+](C)(C)C)cc2)Sc2ccc([N+](C)(C)C)cc2)ccc1[N+](C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N(C)(C)C=O.O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N(C)(C)C=O.O
• Title of publication: Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.
• Authors of publication: Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 6162 - 6172
• a: 39.285 ± 0.008 Å
• b: 9.6841 ± 0.0019 Å
• c: 29.024 ± 0.006 Å
• α: 90°
• β: 130.91 ± 0.03°
• γ: 90°
• Cell volume: 8345 ± 5 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: 0.083
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No