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Information card for entry 1518475
Preview
Coordinates | 1518475.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2-piperazine-1-yl-ethyl ammonium tris(hydrogensquarate) monohydrate |
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Formula | C19 H22 N2 O13 |
Calculated formula | C19 H24 N2 O13 |
SMILES | OC1=C([O-])C(=O)C1=O.OC1=C([O-])C(=O)C1=O.O.C1CC[NH+](CC1)CC[NH3+].O=C1C(=C(O)C1=O)O |
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 | 9.975 ± 0.003 Å |
b | 11.085 ± 0.003 Å |
c | 18.066 ± 0.005 Å |
α | 90° |
β | 94.823 ± 0.008° |
γ | 90° |
Cell volume | 1990.5 ± 1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1096 |
Residual factor for significantly intense reflections | 0.0797 |
Weighted residual factors for significantly intense reflections | 0.1926 |
Weighted residual factors for all reflections included in the refinement | 0.2152 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1518475.html
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