Information card for entry 7003705

Structure parameters

• Formula: C42 H48 Ag3 F18 N12 O2 P3
• Calculated formula: C42 H48 Ag3 F18 N12 O2 P3
• SMILES: [Ag]1[n]2cn(cc2)Cc2c(c3c(c(c2C)Cn2cc[n]([Ag][n]4ccn(Cc5c(c(Cn6c[n]1cc6)c(c(c5C)Cn1c[n]([Ag][n]5cn(C3)cc5)cc1)C)C)c4)c2)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O
• Title of publication: Discrete and infinite 1D, 2D/3D cage frameworks with inclusion of anionic species and anion-exchange reactions of Ag3L2 type receptor with tetrahedral and octahedral anions
• Authors of publication: Liu, Hong-Ke; Huang, Xiaohua; Lu, Tianhong; Wang, Xiujian; Sun, Wei-Yin; Kang, Bei-Sheng
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 24
• Pages of publication: 3178 - 3188
• a: 15.477 ± 0.003 Å
• b: 15.72 ± 0.003 Å
• c: 16.098 ± 0.003 Å
• α: 68.525 ± 0.003°
• β: 72.685 ± 0.003°
• γ: 62.685 ± 0.003°
• Cell volume: 3198.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0949
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No