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Information card for entry 7018482
Preview
| Coordinates | 7018482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H34 Cu2 N6 O12 |
|---|---|
| Calculated formula | C12 H34 Cu2 N6 O12 |
| SMILES | C1(=O)C[NH2][Cu]2(N1CC(=O)O2)([NH]1CC[NH](CC1)[Cu]12(N(CC(=O)O2)C(=O)C[NH2]1)[OH2])[OH2].O.O.O.O |
| Title of publication | Molecular drug design, synthesis and structure elucidation of a new specific target peptide based metallo drug for cancer chemotherapy as topoisomerase I inhibitor. |
| Authors of publication | Tabassum, Sartaj; Al-Asbahy, Waddhaah M; Afzal, Mohd; Arjmand, Farukh; Bagchi, Vivek |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 16 |
| Pages of publication | 4955 - 4964 |
| a | 8.704 ± 0.004 Å |
| b | 10.611 ± 0.005 Å |
| c | 12.345 ± 0.005 Å |
| α | 90° |
| β | 105.085 ± 0.008° |
| γ | 90° |
| Cell volume | 1100.9 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1006 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0556 |
| Weighted residual factors for all reflections included in the refinement | 0.0667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7018482.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 {}' |
7018482.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018482.cif |
| 52115 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7018482 via cif-deposit CGI script. |
7018482.cif |
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