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Information card for entry 2228524
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| Coordinates | 2228524.cif |
|---|---|
| Structure factors | 2228524.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-4-methylpyridinium 6-carboxypyridine-2-carboxylate sesquihydrate |
|---|---|
| Formula | C13 H16 N3 O5.5 |
| Calculated formula | C13 H16 N3 O5.5 |
| Title of publication | 2-Amino-4-methylpyridinium 6-carboxypyridine-2-carboxylate sesquihydrate |
| Authors of publication | Sharif, Mahboubeh A.; Tabatabaee, Masoumeh; Adinehloo, Mahnaz; Aghabozorg, Hossein |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3232 |
| a | 9.2373 ± 0.0006 Å |
| b | 7.1972 ± 0.0005 Å |
| c | 21.6495 ± 0.0014 Å |
| α | 90° |
| β | 93.951 ± 0.001° |
| γ | 90° |
| Cell volume | 1435.9 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0567 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181206 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/85. |
2228524.cif 2228524.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2228524.cif 2228524.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228524.cif 2228524.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228524.cif 2228524.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228524.cif 2228524.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228524.cif 2228524.hkl |
| 5796 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228522, 2228523, 2228524, 2228525, 2228526, 2228527, 2228528, 2228529, 2228530, 2228531 via cif-deposit CGI script. |
2228524.cif |
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Users of the data should acknowledge the original authors of the
structural data.