Information card for entry 4106203

Structure parameters

• Formula: C128 H108 Ag8 F18 N32 O18 S6
• Calculated formula: C128 H108 Ag8 F18 N32 O18 S6
• SMILES: [Ag]12[n]3c4N(C)c5[n]6[Ag]7[C]892[Ag][n]2c(N(c%10nc(N(c%11[n]1c(N(c3ccc4)C)ccc%11)C)ccc%10)C)cccc2N(C)c1nc(ccc1)N(C)c1[n]([Ag]8([C]#9c2cccc(c2)C#Cc2cccc(c2)C#Cc2cccc(c2)[C]2[Ag]348[n]9c%10N(C)c%11nc(N(C)c%12[n]%13[Ag]([C]#24([Ag]24)[Ag][n]%14c(N(c%15[n]3c(N(c9ccc%10)C)ccc%15)C)cccc%14N(C)c3nc(ccc3)N(C)c3[n]2c(ccc3)N(C)c2[n]4c(ccc2)N(c%13ccc%12)C)OS(=O)(=[O]8)C(F)(F)F)ccc%11)OS(=[O]7)(=O)C(F)(F)F)c(ccc1)N(C)c1nc(ccc1)N(C)c6ccc5.S(=O)(=O)([O-])C(F)(F)F.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: Designed Synthesis of Metal Cluster-Centered Pseudo-Rotaxane Supramolecular Architectures
• Authors of publication: Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8448 - 8451
• a: 17.278 ± 0.004 Å
• b: 18.822 ± 0.004 Å
• c: 27.281 ± 0.006 Å
• α: 99.56 ± 0.03°
• β: 107.48 ± 0.03°
• γ: 91.06 ± 0.03°
• Cell volume: 8323 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1273
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2633
• Weighted residual factors for all reflections included in the refinement: 0.2912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No