Information card for entry 7223163

Structure parameters

• Formula: C14.5 H15.5 Hg I2 N2 O2.25 S0.25
• Calculated formula: C14.5 H15.5 Hg I2 N2 O2.25 S0.25
• Title of publication: Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles
• Authors of publication: Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 48
• Pages of publication: 9380
• a: 8.9084 ± 0.0019 Å
• b: 14.54 ± 0.003 Å
• c: 15.73 ± 0.003 Å
• α: 71.47 ± 0.003°
• β: 89.982 ± 0.003°
• γ: 77.678 ± 0.003°
• Cell volume: 1882.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No