Information card for entry 1548381

Structure parameters

• Formula: C59 H55 Ag5 F6 N17 O6 S2
• Calculated formula: C59 H55 Ag5 F6 N17 O6 S2
• SMILES: [Ag]12[Ag]3[C]41c1c(cccc1)N(C)[C]=41[Ag]4[Ag]1([n]1c5N(c6[n]7[Ag][n]8c(N(c9[n]2c(N(c2nc(N(c1ccc5)C)ccc2)C)ccc9)C)cccc8N(C)c1[n]3c(N(C)c2nc(N(c3[n]4c(N(C)c7ccc6)ccc3)C)ccc2)ccc1)C).S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.
• Authors of publication: He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1481 - 1487
• a: 14.3867 ± 0.0003 Å
• b: 15.4794 ± 0.0003 Å
• c: 18.9913 ± 0.0006 Å
• α: 101.197 ± 0.002°
• β: 93.2 ± 0.002°
• γ: 94.368 ± 0.002°
• Cell volume: 4125.97 ± 0.18 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2452
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No