Information card for entry 1514970

Structure parameters

• Formula: C56 H48 Ag2 B Cl F4 N12 O4
• Calculated formula: C56 H48 Ag2 B Cl F4 N12 O4
• SMILES: [Ag]1=C2N(N=C3N2[C@@H](COC3)c2ccccc2)c2cc(N3N=C4N(C3=[Ag]=C3N(N=C5N3[C@@H](COC5)c3ccccc3)c3cc(N5N=C6N(C=15)[C@@H](COC6)c1ccccc1)ccc3)[C@@H](COC4)c1ccccc1)ccc2.[Cl-].[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: 22.2009 ± 0.0005 Å
• b: 22.2009 ± 0.0005 Å
• c: 12.58554 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5372.09 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 177
• Hermann-Mauguin space group symbol: P 6 2 2
• Hall space group symbol: P 6 2
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No