Information card for entry 7020545

Structure parameters

• Formula: C18 H14 Hg I2 N4 O2
• Calculated formula: C18 H14 Hg I2 N4 O2
• Title of publication: Solvent-induced supramolecular isomers, structural diversity, and unprecedented in situ formation of both inorganic and organic ions in inorganic-organic mercury(ii) complexes.
• Authors of publication: Yuan, Zi-Zun; Luo, Feng; Song, Yu-Mei; Sun, Gong-Ming; Tian, Xiao-Zhao; Huang, Hai-Xiao; Zhu, Yan; Feng, Xue-Feng; Luo, Ming-Biao; Liu, Shu-Juan; Xu, Wen-Yuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12670 - 12673
• a: 8.0187 ± 0.0001 Å
• b: 8.8596 ± 0.0001 Å
• c: 15.3509 ± 0.0002 Å
• α: 82.19 ± 0.001°
• β: 82.56 ± 0.001°
• γ: 79.606 ± 0.001°
• Cell volume: 1056.54 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No