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Information card for entry 8101846
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| Coordinates | 8101846.cif |
|---|
| Chemical name | (N-(2-hydroxyl-1-naphthal)ethylenediamine)(isonicotinyl hydrazide)oxovanadium |
|---|---|
| Formula | C17 H16 N5 O3 V |
| Calculated formula | C19 H18 N5 O3 V |
| SMILES | [V]123(Oc4ccc5ccccc5c4C=[N]1CC[NH2]2)([O]=C(N=[NH]3)c1ccncc1)=O |
| Title of publication | Crystal structure of (N-(2-hydroxyl-1-naphthal)ethylenediamine)(isonicotinyl hydrazide)oxovanadium(V), [VO(C~6~H~5~N~3~O)(C~13~H~13~N~2~O)] |
| Authors of publication | Y.-Z. Zhou; R.-J. Chen; S.-J. Tu; D.-D. Hu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 511 - 514 |
| a | 14.935 ± 0.002 Å |
| b | 7.1297 ± 0.001 Å |
| c | 17.573 ± 0.002 Å |
| α | 90° |
| β | 97.084 ± 0.002° |
| γ | 90° |
| Cell volume | 1856.9 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288217 (current) | 2023-12-11 | cif/8/10/18/ Changed data name '_exptl_crystal_descriprion' to '_exptl_crystal_description' in entry 8101846. |
8101846.cif |
| 176728 | 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 8. |
8101846.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101846.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101846.cif |
| 12585 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101846 via cif-deposit CGI script. |
8101846.cif |
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