Information card for entry 2200390

Structure parameters

• Chemical name: Tetrabutylammonium dihydrogenphosphate dichloromethane solvate
• Formula: C17.33 H40.67 Cl2.67 N O4 P
• Calculated formula: C17.3333 H40.6667 Cl2.66667 N O4 P
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.P(=O)(O)(O)[O-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Anion‒anion one-dimensional chain formation within cationic channels in tetrabutylammonium dihydrogenphosphate dichloromethane solvate
• Authors of publication: Light, Mark E.; Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o727 - o729
• a: 16.1733 ± 0.0003 Å
• b: 17.8443 ± 0.0003 Å
• c: 26.7 ± 0.0005 Å
• α: 77.52 ± 0.003°
• β: 77.237 ± 0.003°
• γ: 83.124 ± 0.003°
• Cell volume: 7316.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.2697
• Residual factor for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.3933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes