Information card for entry 1548386

Structure parameters

• Formula: C58 H53 Ag5 F6 N17 O6 S2
• Calculated formula: C58 H53 Ag5 F6 N17 O6 S2
• SMILES: [Ag]123[Ag]45[Ag]67[Ag]1([n]1c8N(c9[n]%10[Ag][n]%11c(N(c%12[n]2c(N(c2nc(N(c1ccc8)C)ccc2)C)ccc%12)C)cccc%11N(C)c1[n]4c(N(C)c2nc(N(C)c4[n]6c(N(C)c%10ccc9)ccc4)ccc2)ccc1)C)C17Nc2c(C351)cccc2.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: 12.278 ± 0.003 Å
• b: 25.145 ± 0.005 Å
• c: 12.408 ± 0.003 Å
• α: 90 ± 0.03°
• β: 117.31 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 3403.7 ± 1.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No