Information card for entry 7019021

Structure parameters

• Formula: C42 H66 F12 Hg N6 O2 P2 S4
• Calculated formula: C42 H66 F12 Hg N6 O2 P2 S4
• SMILES: [Hg](Sc1ccc([N+](C)(C)C)cc1)(Sc1ccc([N+](C)(C)C)cc1)(Sc1ccc([N+](C)(C)C)cc1)Sc1ccc([N+](C)(C)C)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=CN(C)C.O=CN(C)C
• 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: 9.796 ± 0.002 Å
• b: 19.459 ± 0.004 Å
• c: 28.684 ± 0.006 Å
• α: 90°
• β: 95.96 ± 0.03°
• γ: 90°
• Cell volume: 5438 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No