Information card for entry 1518473

Structure parameters

• Common name: 2-pyrrolidin-1-yl-ethyl ammonium bis(hydrogensquarate)
• Formula: C28 H27 N4 O16
• Calculated formula: C28 H27 N4 O16
• Title of publication: Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil
• Authors of publication: Ivanova, B.; Spiteller, M.
• Journal of publication: Environmental Geochemistry and Health
• Year of publication: 2015
• a: 17.65 ± 0.002 Å
• b: 7.5376 ± 0.001 Å
• c: 22.793 ± 0.003 Å
• α: 90°
• β: 91.608 ± 0.004°
• γ: 90°
• Cell volume: 3031.2 ± 0.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.452
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No