Information card for entry 1514974

Structure parameters

• Formula: C90 H84 Au3 B3 F12 N18 O6
• Calculated formula: C90 H84 Au3 B3 F12 N18 O6
• SMILES: [Au]1=C2N3C(=NN2c2cc(N4N=C5N([C@H](COC5)Cc5ccccc5)C4=[Au]=C4N5C(=NN4c4cc(N6N=C7N([C@H](COC7)Cc7ccccc7)C6=[Au]=C6N7C(=NN6c6cc(N8N=C9N(C=18)[C@H](COC9)Cc1ccccc1)ccc6)COC[C@@H]7Cc1ccccc1)ccc4)COC[C@@H]5Cc1ccccc1)ccc2)COC[C@@H]3Cc1ccccc1.[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: 17.4164 ± 0.0004 Å
• b: 17.4164 ± 0.0004 Å
• c: 18.8187 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4943.53 ± 0.19 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294.15 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: 0.0556
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No