Information card for entry 7056116

Structure parameters

• Formula: C80.5 H73 Ag2 Cl F12 N8 O8 P2
• Calculated formula: C80.5 H73 Ag2 Cl F12 N8 O8 P2
• Title of publication: Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine
• Authors of publication: Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 14.458 ± 0.003 Å
• b: 14.898 ± 0.003 Å
• c: 37.068 ± 0.006 Å
• α: 90°
• β: 97.327 ± 0.003°
• γ: 90°
• Cell volume: 7919 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• 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: 0.073
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No