Information card for entry 7117675

Structure parameters

• Formula: C18 H12 Hg I2 N2 S2
• Calculated formula: C18 H12 Hg I2 N2 S2
• Title of publication: Conformation driven in situ interlock: from discrete metallocycles to infinite polycatenanes
• Authors of publication: Hui Xue; Feilong Jiang; Qihui Chen; Daqiang Yuan; Jiandong Pang; Guangxun Lv; Xiuyan Wan; Linfeng Liang; Maochun Hong
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13706
• a: 26.4973 ± 0.0008 Å
• b: 10.4756 ± 0.0003 Å
• c: 14.4782 ± 0.0004 Å
• α: 90°
• β: 94.642 ± 0.003°
• γ: 90°
• Cell volume: 4005.6 ± 0.2 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: 0.0511
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No