Information card for entry 4325163

Structure parameters

• Formula: C30 H36 N6 S12
• Calculated formula: C30 H36 N6 S12
• SMILES: C1CN=C(S1)SCc1c(CSC2=NCCS2)c(c(CSC2=NCCS2)c(c1CSC1=NCCS1)CSC1=NCCS1)CSC1=NCCS1
• 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: 9.524 ± 0.004 Å
• b: 10.24 ± 0.004 Å
• c: 10.575 ± 0.004 Å
• α: 71.163 ± 0.009°
• β: 77.511 ± 0.009°
• γ: 84.535 ± 0.009°
• Cell volume: 952.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No