Information card for entry 7219924

Structure parameters

• Formula: C29 H40 Hg I2 N4 O3
• Calculated formula: C29 H36 Hg I2 N4 O3
• 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: 15.437 ± 0.002 Å
• b: 15.405 ± 0.002 Å
• c: 15.041 ± 0.002 Å
• α: 90°
• β: 108.081 ± 0.002°
• γ: 90°
• Cell volume: 3400.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No