Information card for entry 1519321

Structure parameters

• 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: Tetra-n-butylammonium dihydrogenphosphate dichloromethane solvate
• Authors of publication: Hursthouse, Michael B.; Gale, Phil A.; Camiolo, S.; Light, Mark E.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 105
• 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: 0.2638
• Residual factor for significantly intense reflections: 0.1694
• Weighted residual factors for significantly intense reflections: 0.4281
• Weighted residual factors for all reflections included in the refinement: 0.4813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.577
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No