Information card for entry 7223904

Structure parameters

• Formula: C25.5 H20.5 Cl Hg N6 S2
• Calculated formula: C25.5 H20.5 Cl Hg N6 S2
• Title of publication: Amalgamating 4'-substituted 4,2':6',4''-terpyridine ligands with double-helical chains or ladder-like networks
• Authors of publication: Zhang, Guoqi; Tan, Jiawen; Phoenix, Tonya; Manke, David; Golen, James A.; Rheingold, Arnold L.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 28.2486 ± 0.0017 Å
• b: 8.1596 ± 0.0003 Å
• c: 22.5028 ± 0.0011 Å
• α: 90°
• β: 99.253 ± 0.002°
• γ: 90°
• Cell volume: 5119.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No