Information card for entry 3500109

Structure parameters

• Common name: tetrabutyl ammonium chloride hydrate
• Chemical name: 1-Butanaminium, N,N,N-tributyl-, chloride, hydrate (1:0.07)
• Formula: C16 H36.14 Cl N O0.07
• Calculated formula: C16 H36.14 Cl N O0.07
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 8.87 ± 0.0004 Å
• b: 14.0927 ± 0.0006 Å
• c: 14.8515 ± 0.0007 Å
• α: 90°
• β: 102.193 ± 0.002°
• γ: 90°
• Cell volume: 1814.59 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes