Information card for entry 7219923

Structure parameters

• Formula: C42 H55 Hg I2 N5 O4 S2
• Calculated formula: C42 H55 Hg I2 N5 O4 S2
• Title of publication: NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion
• Authors of publication: liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.477 ± 0.004 Å
• b: 19.092 ± 0.005 Å
• c: 16.2 ± 0.004 Å
• α: 90°
• β: 93.137 ± 0.005°
• γ: 90°
• Cell volume: 4780 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No