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Information card for entry 1516825
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| Coordinates | 1516825.cif |
|---|
| Formula | C28 H24 Cl2 Cu2 N6 O4 |
|---|---|
| Calculated formula | C28 H24 Cl2 Cu2 N6 O4 |
| SMILES | [Cu]123([Cl][Cu]45([Cl]1)OC(=N[N]5=C(c1[n]4cccc1)C)c1c(O)cccc1)OC(=N[N]3=C(c1[n]2cccc1)C)c1c(O)cccc1 |
| Title of publication | Mononuclear and binuclear Cu(II) complexes of some tridentate aroyl hydrazones. X-ray crystal structures of a mononuclear and a binuclear complex |
| Authors of publication | Satyajit Mondal; Sumita Naskar; Ayan Kumar Dey; Ekkehard Sinn; Carla Eribal; Steven R. Herron; Shyamal Kumar Chattopadhyay |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 398 |
| Pages of publication | 98 - 105 |
| a | 8.3 ± 0.0004 Å |
| b | 9.1116 ± 0.0004 Å |
| c | 10.8269 ± 0.0005 Å |
| α | 71.369 ± 0.002° |
| β | 74.335 ± 0.002° |
| γ | 68.143 ± 0.002° |
| Cell volume | 709.41 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.0951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516825.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 {}' |
1516825.cif |
| 118988 | 2014-07-04 | cif/ Adding structures of 1516825 via cif-deposit CGI script. |
1516825.cif |
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Users of the data should acknowledge the original authors of the
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