Information card for entry 4332669

Structure parameters

• Formula: C40 H52 Au4 N8 S4
• Calculated formula: C40 H52 Au4 N8 S4
• SMILES: c1(ccc(cc1)[N+](C)(C)C)S[Au]([Au]([Au]([Au](Sc1ccc([N+](C)(C)C)cc1)Sc1ccc([N+](C)(C)C)cc1)(C#N)C#N)(C#N)C#N)Sc1ccc(cc1)[N+](C)(C)C
• Title of publication: Toward Rational Construction of Gold, Gold−Silver, and Gold−Mercury String Complexes: Syntheses, Structures, and Properties of [Au(Tab)2]2L2(L = I and PF6), {[(Tab)2M][Au(CN)2]}2(M = Au and Ag), and {[Hg(Tab)2][Au(CN)2]2} [Tab = 4-(Trimethylammonio)benzenethiolate]
• Authors of publication: Chen, Jin-Xiang; Zhang, Wen-Hua; Tang, Xiao-Yan; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7671 - 7680
• a: 18.1364 ± 0.0015 Å
• b: 32.23 ± 0.003 Å
• c: 15.6796 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9165.3 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No