Information card for entry 1548385

Structure parameters

• Formula: C67 H57 Ag5 F9 N17 O9 S3
• Calculated formula: C67 H57 Ag5 F9 N17 O9 S3
• SMILES: [Ag]12[Ag]3[n]4c5N(c6nc(N(c7[n]8[Ag]9[Ag]([n]%10c%11N(c%12nc(N(c%13[n]1c(N(c1[n]([Ag][n]%14c(N(c%10ccc%11)C)cccc%14N(C)c8ccc7)c(N(c4ccc5)C)ccc1)C)ccc%13)C)ccc%12)C)[C]19=[C]23c2ccccc2c2[nH]c3c(c12)cccc3)C)ccc6)C.S(=O)(=O)([O-])C(F)(F)F.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: 14.3943 ± 0.0004 Å
• b: 31.0527 ± 0.0014 Å
• c: 22.6971 ± 0.0008 Å
• α: 90°
• β: 125.685 ± 0.002°
• γ: 90°
• Cell volume: 8240.3 ± 0.6 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2674
• Residual factor for significantly intense reflections: 0.213
• Weighted residual factors for significantly intense reflections: 0.5017
• Weighted residual factors for all reflections included in the refinement: 0.5615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No