Information card for entry 2224574

Structure parameters

• Chemical name: Tris[2-(2-pyridylsulfanyl)ethyl]ammonium perchlorate
• Formula: C21 H25 Cl N4 O4 S3
• Calculated formula: C21 H25 Cl N4 O4 S3
• SMILES: C(CSc1ccccn1)[NH+](CCSc1ccccn1)CCSc1ccccn1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Tris[2-(2-pyridylsulfanyl)ethyl]ammonium perchlorate
• Authors of publication: An, Yan; Li, Xiao-Feng; Chen, Hui-Guo; Dong, Li-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o101
• a: 8.548 ± 0.0007 Å
• b: 11.9753 ± 0.001 Å
• c: 12.9346 ± 0.0011 Å
• α: 110.884 ± 0.004°
• β: 99.609 ± 0.004°
• γ: 91.774 ± 0.004°
• Cell volume: 1213.81 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes