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Information card for entry 2019774
Preview
| Coordinates | 2019774.cif |
|---|---|
| Structure factors | 2019774.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-\ κ^2^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)vanadate(V) |
|---|---|
| Formula | C12 H10 N3 O7 V |
| Calculated formula | C12 H10 N3 O7 V |
| SMILES | C1(=O)c2cccc3C(=O)O[V]([n]23)(O1)(=O)=O.c1(c(O)ccc[nH+]1)N |
| Title of publication | Synthesis and crystal structure of 2-amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)vanadate(V) and its conversion to nanostructured V~2~O~5~ |
| Authors of publication | Hejrani-Dalir, Ali; Tabatabaee, Masumeh; Sheibani, Ali |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| a | 26.173 ± 0.003 Å |
| b | 6.3586 ± 0.0007 Å |
| c | 8.1089 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1349.5 ± 0.3 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019774.cif 2019774.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019774.cif 2019774.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019774.cif 2019774.hkl |
| 129509 | 2015-01-11 | cif/ hkl/ Adding structures of 2019774 via cif-deposit CGI script. |
2019774.cif 2019774.hkl |
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