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Information card for entry 7027604
Preview
| Coordinates | 7027604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H32 Fe N4 O6.5 |
|---|---|
| Calculated formula | C24 H27 Fe N4 O6.5 |
| Title of publication | Clusters in bis-tridentate tethered domains of an iron chelating drug † |
| Authors of publication | Henderson, William; Koh, Lip L.; Ranford, John D.; Robinson, Ward T.; Svensson, Jan O.; Vittal, Jagadese J.; Wang, Yu M.; Xu, Yan |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 19 |
| Pages of publication | 3341 |
| a | 11.135 ± 0.002 Å |
| b | 19.35 ± 0.004 Å |
| c | 12.405 ± 0.002 Å |
| α | 90° |
| β | 98.48 ± 0.03° |
| γ | 90° |
| Cell volume | 2643.6 ± 0.9 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.1164 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.9 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179982 (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 7/02/76. |
7027604.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 {}' |
7027604.cif |
| 95529 | 2014-01-28 | cif/ Adding structures of 7027604, 7027605 via cif-deposit CGI script. |
7027604.cif |
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Users of the data should acknowledge the original authors of the
structural data.