Information card for entry 4510561

Structure parameters

• Formula: C24 H36 N4 O15 S3
• Calculated formula: C24 H36 N4 O15 S3
• SMILES: S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])O.S(=O)(=O)(O)[O-].O(c1ccc([NH3+])cc1)CC[NH+](CCOc1ccc([NH3+])cc1)CCOc1ccc([NH3+])cc1
• Title of publication: Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒
• Authors of publication: Hoque, Md. Najbul; Das, Gopal
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2962
• a: 12.365 ± 0.003 Å
• b: 12.677 ± 0.002 Å
• c: 12.679 ± 0.002 Å
• α: 72.785 ± 0.016°
• β: 62.375 ± 0.019°
• γ: 65.503 ± 0.019°
• Cell volume: 1589.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No