Information card for entry 2018146

Structure parameters

• Chemical name: <i>catena</i>-poly[[{bis[4-(trimethylammonio)benzenethiolate- κ<i>S</i>]mercury(II)}-μ-1,1'-(ethane-1,2-diyl)bis(1<i>H</i>- benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(hexafluoridophosphate) 0.25-hydrate
• Formula: C34 H40.5 F12 Hg N6 O0.25 P2 S2
• Calculated formula: C34 H40 F12 Hg N6 O0.25 P2 S2
• 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: 19.589 ± 0.004 Å
• b: 12.808 ± 0.003 Å
• c: 16.207 ± 0.003 Å
• α: 90°
• β: 97.14 ± 0.03°
• γ: 90°
• Cell volume: 4034.7 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes