Information card for entry 1518474

Structure parameters

• Common name: 2-piperazine-1-yl-ethanol squarate dianion
• Formula: C8 H15 N2 O3
• Calculated formula: C8 H15 N2 O3
• 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: 10.028 ± 0.012 Å
• b: 9.435 ± 0.012 Å
• c: 11.76 ± 0.011 Å
• α: 90 ± 0.05°
• β: 122.95 ± 0.07°
• γ: 90 ± 0.04°
• Cell volume: 934 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.616
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No