Information card for entry 7219150

Structure parameters

• Formula: C43 H40 Cl2 Hg N6 O3
• Calculated formula: C43 H40 Cl2 Hg N6 O3
• Title of publication: Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion
• Authors of publication: Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1358
• a: 14.5037 ± 0.0006 Å
• b: 14.5037 ± 0.0006 Å
• c: 18.1126 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3810.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No