Information card for entry 4350489

Structure parameters

• Formula: C48 H48 Ag3 F18 N12 S6 Sb3
• Calculated formula: C48 H48 Ag3 F18 N12 S6 Sb3
• SMILES: c12[n](ccs2)[Ag]23[n]4ccsc4C(C)=[N]2[N]2=C(C)c4[n](ccs4)[Ag]42[n]2c(C(C)=[N]4[N]4=C(C)c5[n](ccs5)[Ag]54[n]4c(C(C)=[N]5[N]3=C1C)scc4)scc2.F[Sb](F)(F)(F)(F)[F-].[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: A novel cascade supramolecular complex with a reversible nanosized 18-component H-bonded {(C6H6)6(SbF6)12}12- cage unit templated by a chiral metal-organic complex.
• Authors of publication: Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Huang, Ru-Qi
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9157 - 9159
• a: 14.4874 ± 0.001 Å
• b: 14.4874 ± 0.001 Å
• c: 28.525 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5184.9 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No