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Information card for entry 7054745
Preview
| Coordinates | 7054745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 N3 O6 V |
|---|---|
| Calculated formula | C10 H8 N3 O6 V |
| SMILES | c1cc2[n]3[V](OC2=O)(OC(=O)c3c1)(=O)=O.c1[nH]c[nH+]c1 |
| Title of publication | Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives |
| Authors of publication | Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 6 |
| Pages of publication | 4265 |
| a | 9.3492 ± 0.0009 Å |
| b | 12.426 ± 0.0005 Å |
| c | 6.436 ± 0.0007 Å |
| α | 90° |
| β | 129.421 ± 0.017° |
| γ | 90° |
| Cell volume | 577.59 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0232 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0535 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180101 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/47. |
7054745.cif |
| 138779 | 2015-06-07 | cif/ Updating files of 7054735, 7054736, 7054737, 7054738, 7054739, 7054740, 7054741, 7054742, 7054743, 7054744, 7054745 Original log message: Adding full bibliography for 7054735--7054745.cif. |
7054745.cif |
| 134031 | 2015-03-18 | cif/ Adding structures of 7054739, 7054740, 7054741, 7054742, 7054743, 7054744, 7054745 via cif-deposit CGI script. |
7054745.cif |
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Users of the data should acknowledge the original authors of the
structural data.