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Information card for entry 7029163
Preview
| Coordinates | 7029163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 Br2 Cu2 N2 O8 |
|---|---|
| Calculated formula | C20 H24 Br2 Cu2 N2 O8 |
| SMILES | [Cu]123([O](c4ccc(Br)cc4C[NH]2[C@H](C(=O)O1)C)[Cu]12[O]3c3ccc(Br)cc3C[NH]1[C@H](C(=O)O2)C)[OH2].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 | 13.1442 ± 0.0016 Å |
| b | 7.2517 ± 0.0009 Å |
| c | 13.7162 ± 0.0017 Å |
| α | 90° |
| β | 117.64 ± 0.004° |
| γ | 90° |
| Cell volume | 1158.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.023 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for significantly intense reflections | 0.0565 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179997 (current) | 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. |
7029163.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 {}' |
7029163.cif |
| 105528 | 2014-03-12 | cif/ Adding structures of 7029160, 7029161, 7029162, 7029163, 7029164, 7029165, 7029166 via cif-deposit CGI script. |
7029163.cif |
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Users of the data should acknowledge the original authors of the
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