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Information card for entry 1506335
Preview
| Coordinates | 1506335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Aqua(N-methyliminodipropionato)copper(II) monohydrate |
|---|---|
| Chemical name | Aqua(N-methyl-N-(2-carboxyethyl)-β-alaninato)copper(II) monohydrate |
| Formula | C7 H15 Cu N O6 |
| Calculated formula | C7 H15 Cu N O6 |
| Title of publication | Complexation Models ofN-(2-Carboxyethyl)chitosans with Copper(II) Ions |
| Authors of publication | Skorik, Yury A.; Gomes, Carlos A. R.; Podberezskaya, Nina V.; Romanenko, Galina V.; Pinto, Luiz F.; Yatluk, Yury G. |
| Journal of publication | Biomacromolecules |
| Year of publication | 2005 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 189 |
| a | 19.837 ± 0.009 Å |
| b | 7.084 ± 0.003 Å |
| c | 14.896 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2093.3 ± 1.6 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1506335.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 {}' |
1506335.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506335.cif |
| 50004 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506335 via cif-deposit CGI script. |
1506335.cif |
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