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Information card for entry 1506365
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1506365.cif |
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Original paper (by DOI) | HTML |
Chemical name | ethylenediammonium 3,5-dinitrobenzoate |
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Formula | C8 H8 N3 O6 |
Calculated formula | C8 H8 N3 O6 |
Title of publication | Crystallization of a salt of a weak organic acid and base: solubility relations, supersaturation control and polymorphic behavior. |
Authors of publication | Jones, H. P.; Davey, R. J.; Cox, B. G. |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2005 |
Journal volume | 109 |
Journal issue | 11 |
Pages of publication | 5273 - 5278 |
a | 6.7331 ± 0.0003 Å |
b | 7.8045 ± 0.0003 Å |
c | 10.4466 ± 0.0005 Å |
α | 94.764 ± 0.002° |
β | 108.278 ± 0.002° |
γ | 97.433 ± 0.002° |
Cell volume | 512.4 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0576 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for significantly intense reflections | 0.1274 |
Weighted residual factors for all reflections included in the refinement | 0.1363 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1506365.html
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