Information card for entry 1514972

Structure parameters

• Formula: C90 H84 Ag3 B3 F12 N18 O6
• Calculated formula: C90 H84 Ag3 B3 F12 N18 O6
• SMILES: [Ag]1=C2N3[C@@H](Cc4ccccc4)COCC3=NN2c2cccc(N3N=C4N(C3=[Ag]=C3N5[C@@H](Cc6ccccc6)COCC5=NN3c3cccc(N5N=C6N(C5=[Ag]=C5N7[C@@H](Cc8ccccc8)COCC7=NN5c5cccc(N7N=C8N(C=17)[C@H](COC8)Cc1ccccc1)c5)[C@H](COC6)Cc1ccccc1)c3)[C@H](COC4)Cc1ccccc1)c2.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 17.3399 ± 0.0003 Å
• b: 17.3399 ± 0.0003 Å
• c: 18.6738 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4862.47 ± 0.14 ų
• Cell temperature: 567.3 K
• Ambient diffraction temperature: 567.3 K
• Number of distinct elements: 7
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No