Information card for entry 1513643

Structure parameters

• Formula: C92 H84 Ag6 N12 O24
• Calculated formula: C92 H84 Ag6 N12 O24
• SMILES: [Ag]1[n]2ccc(cc2)C(=O)OCC2(COC(=O)c3cc[n]([Ag][n]4ccc(C(=O)OCC5(COC(=O)c6cc[n]([Ag][n]7ccc(C(=O)OCC(COC(=O)c8cc[n]([Ag][n]9ccc(C(=O)OCC(COC(=O)c%10cc[n]([Ag][n]%11ccc(C(=O)OC2)cc%11)cc%10)(COC(=O)c2cc[n]1cc2)C)cc9)cc8)(COC(=O)c1cc[n]([Ag][n]2ccc(cc2)C(=O)OC5)cc1)C)cc7)cc6)C)cc4)cc3)C
• 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: 16.213 ± 0.004 Å
• b: 23.949 ± 0.005 Å
• c: 18.894 ± 0.004 Å
• α: 90°
• β: 105.065 ± 0.004°
• γ: 90°
• Cell volume: 7084 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.3125
• Weighted residual factors for all reflections included in the refinement: 0.3321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No