Information card for entry 1514975

Structure parameters

• Formula: C71 H93 Ag3 Cl4 F12 N18 O8 P2
• Calculated formula: C71 H93 Ag3 Cl4 F12 N18 O8 P2
• SMILES: [Ag]1=C2N3C(=NN2c2cccc(N4N=C5N(C4=[Ag](Cl)=C4N(N=C6N4[C@H](COC6)C(C)C)c4cccc(N6N=C7N(C6=[Ag]=C6N(N=C8N6[C@H](COC8)C(C)C)c6cccc(N8N=C9N(C=18)[C@H](COC9)C(C)C)c6)[C@H](COC7)C(C)C)c4)[C@H](COC5)C(C)C)c2)COC[C@@H]3C(C)C.ClC(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(OCC)C
• Title of publication: Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes
• Authors of publication: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 359
• a: 12.6553 ± 0.0003 Å
• b: 13.0092 ± 0.0005 Å
• c: 15.1663 ± 0.0004 Å
• α: 104.239 ± 0.003°
• β: 112.9 ± 0.003°
• γ: 99.765 ± 0.003°
• Cell volume: 2128.75 ± 0.14 ų
• Cell temperature: 150.1 K
• Ambient diffraction temperature: 150.1 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No