Information card for entry 7223167

Structure parameters

• Formula: C46 H45 Ag F6 N6 O7.5 P S
• Calculated formula: C46 H40 Ag F6 N6 O7.5 P S
• 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: 12.7163 ± 0.0019 Å
• b: 14.533 ± 0.002 Å
• c: 14.628 ± 0.002 Å
• α: 62.589 ± 0.002°
• β: 83.154 ± 0.002°
• γ: 74.119 ± 0.002°
• Cell volume: 2308.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No