Information card for entry 4325164

Structure parameters

• Formula: C62 H75 Ag6 Cl13 N12 O28 S24
• Calculated formula: C62 H74 Ag6 Cl13 N12 O30 S24
• SMILES: C1CSC2=[N]1[Ag][N]1CCSC=1SCc1c3CSC4=[N](CCS4)[Ag][N]4CCSC=4SCc4c(CS2)c2c5CSC6=[N](CCS6)[Ag][N]6CCSC=6SCc(c6CSC7=[N](CCS7)[Ag][N]7CCSC=7SCc5c4CSC4=[N](CCS4)[Ag][N]4CCSC=4SCc36)c1CSC1=[N](CCS1)[Ag][N]1CCSC=1SC2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.ClC(Cl)Cl.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.C(Cl)(Cl)Cl.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal-Organic Polymer
• Authors of publication: B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4772 - 4780
• a: 16.4061 ± 0.0019 Å
• b: 16.4061 ± 0.0019 Å
• c: 35.098 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8181 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No