Information card for entry 7223590

Structure parameters

• Common name: cageAg3PF6
• Formula: C110 H140 Ag3 F18 N12 O12 P3
• Calculated formula: C102 H124 Ag3 F18 N12 O8 P3
• Title of publication: Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI
• Authors of publication: Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 266
• a: 34.813 ± 0.003 Å
• b: 20.6402 ± 0.0019 Å
• c: 16.304 ± 0.0015 Å
• α: 90°
• β: 102.678 ± 0.001°
• γ: 90°
• Cell volume: 11429.6 ± 1.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.1336
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No