Information card for entry 4304629

Structure parameters

• Formula: C20 H16 Hg I2 N6 S2
• Calculated formula: C20 H16 Hg I2 N6 S2
• Title of publication: Anion-Modulated Reversible Conversion of Molecular Assembly between a Macrocycle and a Linear Chain
• Authors of publication: Huaze Dong; Juan Yang; Xia Liu; Shaohua Gou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2913 - 2915
• a: 16.447 ± 0.002 Å
• b: 6.8547 ± 0.0008 Å
• c: 22.978 ± 0.003 Å
• α: 90°
• β: 103.066 ± 0.002°
• γ: 90°
• Cell volume: 2523.5 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No