Information card for entry 4510558

Structure parameters

• Formula: C24 H44 N4 O20 P4
• Calculated formula: C24 H44 N4 O20 P4
• SMILES: P(=O)(O)(O)[O-].P(=O)(O)([O-])O.P(=O)(O)([O-])O.P(=O)([O-])(O)O.O(c1ccc([NH3+])cc1)CC[NH+](CCOc1ccc([NH3+])cc1)CCOc1ccc([NH3+])cc1.O
• 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: 12.8225 ± 0.0008 Å
• b: 13.3153 ± 0.0007 Å
• c: 13.7615 ± 0.0009 Å
• α: 65.496 ± 0.006°
• β: 64.074 ± 0.007°
• γ: 61.25 ± 0.006°
• Cell volume: 1789.3 ± 0.2 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: 0.0705
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No