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Information card for entry 7033387
Preview
| Coordinates | 7033387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H15 Cl Mo N2 O5 |
|---|---|
| Calculated formula | C17 H15 Cl Mo N2 O5 |
| SMILES | [Mo]123(=O)(=O)Oc4c([NH]3C(c3[n]2cccc3)C(=C(O1)C)C(=O)C)cc(Cl)cc4 |
| Title of publication | cis-{MoO2}(2+) assisted Mannich-type addition of acetylacetonate methine to the azomethine of tridentate Schiff bases: racemic complexes with chiral transformed ligands. |
| Authors of publication | Kurapati, Sathish Kumar; Pal, Samudranil |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 5 |
| Pages of publication | 2401 - 2408 |
| a | 7.8674 ± 0.0005 Å |
| b | 8.4723 ± 0.0005 Å |
| c | 13.9072 ± 0.0008 Å |
| α | 76.819 ± 0.001° |
| β | 84.328 ± 0.001° |
| γ | 77.558 ± 0.001° |
| Cell volume | 880.16 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7033387.cif |
| 180039 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33. |
7033387.cif |
| 133387 | 2015-03-06 | cif/ Updating files of 7033385, 7033386, 7033387, 7033388 Original log message: Adding full bibliography for 7033385--7033388.cif. |
7033387.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7033387.cif |
| 128517 | 2014-12-11 | cif/ Adding structures of 7033385, 7033386, 7033387, 7033388 via cif-deposit CGI script. |
7033387.cif |
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Users of the data should acknowledge the original authors of the
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