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Information card for entry 7029164
Preview
| Coordinates | 7029164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H28 Br2 Cu2 N2 O10 |
|---|---|
| Calculated formula | C20 H28 Br2 Cu2 N2 O10 |
| SMILES | c12ccc(cc1C[NH]1CC(=O)O[Cu]31[O]2[Cu]12[NH](Cc4c(ccc(c4)Br)[O]31)CC(=O)O2)Br.CO.O.CO.O |
| Title of publication | Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands. |
| Authors of publication | Thio, Yude; Yang, Xiandong; Vittal, Jagadese J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 9 |
| Pages of publication | 3545 - 3556 |
| a | 13.093 ± 0.003 Å |
| b | 6.9457 ± 0.0015 Å |
| c | 14.027 ± 0.003 Å |
| α | 90° |
| β | 99.983 ± 0.004° |
| γ | 90° |
| Cell volume | 1256.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0794 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1415 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029164.cif |
| 179997 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/91. |
7029164.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 {}' |
7029164.cif |
| 105528 | 2014-03-12 | cif/ Adding structures of 7029160, 7029161, 7029162, 7029163, 7029164, 7029165, 7029166 via cif-deposit CGI script. |
7029164.cif |
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