Information card for entry 1513642

Structure parameters

• Formula: C92 H84 Ag6 B6 Cl0 F24 N12 O24
• Calculated formula: C92 H84 Ag6 B6 F24 N12 O24
• SMILES: [Ag]1[n]2ccc(C(=O)OCC3(COC(=O)c4cc[n]([Ag][n]5ccc(cc5)C(=O)OCC(COC(=O)c5cc[n]([Ag][n]6ccc(cc6)C(=O)OCC6(C)COC(=O)c7cc[n]([Ag][n]8ccc(C(=O)OCC(COC(=O)c9cc[n]([Ag][n]%10ccc(C(=O)OC6)cc%10)cc9)(C)COC(=O)c6cc[n]1cc6)cc8)cc7)cc5)(C)COC(=O)c1cc[n]([Ag][n]5ccc(C(=O)OC3)cc5)cc1)cc4)C)cc2.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: A controllable and dynamic assembly system based on discrete metallocages
• Authors of publication: Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 483
• a: 22.7 ± 0.0018 Å
• b: 22.7 ± 0.0018 Å
• c: 24.198 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12469 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No