Information card for entry 1514973

Structure parameters

• Formula: C90 H84 Ag3 N18 O6
• Calculated formula: C90 H84 Ag3 N18 O6
• SMILES: [Ag]1=C2N3C(=NN2c2cccc(N4N=C5N(C4=[Ag]=C4N6C(=NN4c4cccc(N7N=C8N(C7=[Ag]=C7N9C(=NN7c7cc(N%10N=C%11N(C=1%10)[C@@H](Cc1ccccc1)COC%11)ccc7)COC[C@@H]9Cc1ccccc1)[C@H](COC8)Cc1ccccc1)c4)COC[C@@H]6Cc1ccccc1)[C@H](COC5)Cc1ccccc1)c2)COC[C@@H]3Cc1ccccc1
• 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: 17.2761 ± 0.0002 Å
• b: 17.2761 ± 0.0002 Å
• c: 18.7097 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4836.03 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No