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Information card for entry 4336993
Preview
| Coordinates | 4336993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H28 N4 O6 V |
|---|---|
| Calculated formula | C38 H28 N4 O6 V |
| SMILES | [V]1234(OC(=N[N]3=C(C)c3c(O1)ccc1ccccc31)c1c(O)cccc1)OC(=N[N]4=C(C)c1c(O2)ccc2ccccc12)c1c(O)cccc1 |
| Title of publication | Highly Stable Hexacoordinated Nonoxidovanadium(IV) Complexes of Sterically Constrained Ligands: Syntheses, Structure, and Study of Antiproliferative and Insulin Mimetic Activity |
| Authors of publication | Subhashree P. Dash; Sagarika Pasayat; Saswati Bhakat; Satabdi Roy; Rupam Dinda; Edward R. T. Tiekink; Subhadip Mukhopadhyay; Sujit K. Bhutia; Manasi R. Hardikar; Bimba N. Joshi; Yogesh P. Patil; M. Nethaji |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 14096 - 14107 |
| a | 14.711 ± 0.004 Å |
| b | 14.697 ± 0.004 Å |
| c | 15.068 ± 0.004 Å |
| α | 90° |
| β | 96.59 ± 0.004° |
| γ | 90° |
| Cell volume | 3236.3 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1458 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.1376 |
| Weighted residual factors for all reflections included in the refinement | 0.1736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4336993.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4336993.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4336993.cif |
| 103058 | 2014-02-25 | cif/ Adding structures of 4336993 via cif-deposit CGI script. |
4336993.cif |
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Users of the data should acknowledge the original authors of the
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