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Information card for entry 4319979
Preview
| Coordinates | 4319979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H16 Co K3 N2 O12 P |
|---|---|
| Calculated formula | C10 H16 Co0.5 K2.5 N2 O12 P0.5 |
| Title of publication | Lanthanide Chemistry with Bis{[bis(carboxymethyl)amino]methyl}phosphinate: What Does an Extra Phosphinate Group Do to EDTA? |
| Authors of publication | Liang Xu; Steven J. Rettig; Chris Orvig |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 3734 - 3738 |
| a | 11.8931 ± 0.0005 Å |
| b | 8.4428 ± 0.0011 Å |
| c | 9.6761 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 971.59 ± 0.14 Å3 |
| Cell temperature | 180.2 K |
| Ambient diffraction temperature | 180.2 K |
| Number of distinct elements | 7 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for all reflections | 0.0399 |
| Weighted residual factors for all reflections included in the refinement | 0.019 |
| Goodness-of-fit parameter for all reflections | 0.993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4319979.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 {}' |
4319979.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319979.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319979.cif |
| 16784 | 2011-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4319979 via cif-deposit CGI script. |
4319979.cif |
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