Information card for entry 2018147

Structure parameters

• Chemical name: <i>catena</i>-poly[[{[4-(trimethylammonio)benzenethiolate- κ<i>S</i>]mercury(II)}bis[μ-4-(trimethylammonio)benzenethiolate- κ^2^<i>S</i>:<i>S</i>]{[4-(trimethylammonio)benzenethiolate- κ<i>S</i>]mercury(II)}-μ-1,1'-(hexane-1,6-diyl)bis(1<i>H</i>- benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^] tetrakis(hexafluoridophosphate)]
• Formula: C56 H74 F24 Hg2 N8 P4 S4
• Calculated formula: C56 H74 F24 Hg2 N8 P4 S4
• SMILES: c1(ccc(cc1)[N+](C)(C)C)S[Hg]([n]1cn(c2c1cccc2)CCCCCCn1c[n](c2ccccc12)[Hg](Sc1ccc(cc1)[N+](C)(C)C)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-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mercury(II) thiolate complexes of two flexible benzimidazole-based ligands
• Authors of publication: Shang, Hai; Zheng, Ai-Xia; Liu, Dong; Ren, Zhi-Gang; Lang, Jian-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m237 - m240
• a: 9.871 ± 0.002 Å
• b: 10.364 ± 0.002 Å
• c: 18.078 ± 0.004 Å
• α: 98.39 ± 0.03°
• β: 97.85 ± 0.03°
• γ: 94.05 ± 0.03°
• Cell volume: 1804.7 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes