Information card for entry 1514971

Structure parameters

• Formula: C90 H84 Ag3 B3 F12 N18 O6
• Calculated formula: C90 H84 Ag3 B3 F12 N18 O6
• SMILES: [Ag]1=C2N3C(=NN2c2cc(N4N=C5N(C4=[Ag]=C4N6C(=NN4c4cc(N7N=C8N(C7=[Ag]=C7N9C(=NN7c7cc(N%10N=C%11N(C=1%10)[C@@H](COC%11)Cc1ccccc1)ccc7)COC[C@H]9Cc1ccccc1)[C@@H](COC8)Cc1ccccc1)ccc4)COC[C@H]6Cc1ccccc1)[C@@H](COC5)Cc1ccccc1)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: 17.3366 ± 0.0004 Å
• b: 17.3366 ± 0.0004 Å
• c: 18.9739 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4938.73 ± 0.18 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: 0.0522
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No