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Information card for entry 1506365
Preview
| Coordinates | 1506365.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ethylenediammonium 3,5-dinitrobenzoate |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506365.cif |
| 171452 | 2015-12-11 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 1. |
1506365.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506365.cif |
| 50254 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506365 via cif-deposit CGI script. |
1506365.cif |
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Users of the data should acknowledge the original authors of the
structural data.