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Information card for entry 7019439
Preview
| Coordinates | 7019439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H18 Mo N3 O5 |
|---|---|
| Calculated formula | C9 H18 Mo N3 O5 |
| Title of publication | The syntheses and characterizations of molybdenum(vi) complexes with catechol and 2,3-dihydroxynaphthalene, and the structure-effect relationship in their in vitro anticancer activities. |
| Authors of publication | Feng, Jun; Lu, Xiao-Ming; Wang, Guo; Du, Shi-Zhen; Cheng, Yi-Feng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 28 |
| Pages of publication | 8697 - 8702 |
| a | 17.2729 ± 0.0012 Å |
| b | 6.4159 ± 0.0005 Å |
| c | 11.621 ± 0.0009 Å |
| α | 90° |
| β | 96.45 ± 0.001° |
| γ | 90° |
| Cell volume | 1279.7 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.02 |
| Residual factor for significantly intense reflections | 0.0173 |
| Weighted residual factors for significantly intense reflections | 0.0674 |
| Weighted residual factors for all reflections included in the refinement | 0.0784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7019439.cif |
| 179898 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94. |
7019439.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 {}' |
7019439.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019439.cif |
| 62868 | 2012-07-09 | cif/ Adding structures of 7019438, 7019439 via cif-deposit CGI script. |
7019439.cif |
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Users of the data should acknowledge the original authors of the
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