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Information card for entry 2238961
Preview
| Coordinates | 2238961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(2-oxopyridinato N-oxide-κ^2^O,O')copper(II) |
|---|---|
| Formula | C20 H16 Cu2 N4 O8 |
| Calculated formula | C20 H16 Cu2 N4 O8 |
| SMILES | [Cu]12(Oc3n(=[O]1)cccc3)[O]=n1c(O2)cccc1 |
| Title of publication | Bis(2-oxopyridinatoN-oxide-κ^2^O,O')copper(II) |
| Authors of publication | Xu, Li; Li, Yi-Zhi; Liu, San-Hui; Chen, Xue-Tai; Zhou, Jian-Hao |
| Journal of publication | Acta Crystallographica, Section E: Structure Reports Online |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 2 |
| Pages of publication | m364 - m366 |
| a | 6.873 ± 0.005 Å |
| b | 9.721 ± 0.005 Å |
| c | 15.523 ± 0.002 Å |
| α | 90° |
| β | 96.49 ± 0.01° |
| γ | 90° |
| Cell volume | 1030.5 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0512 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 2205067 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219070 (current) | 2019-10-03 | cif/2/ Marked entry 2238961 as a duplicate of entry 2205067. |
2238961.cif |
| 219069 | 2019-10-03 | cif/2/ Updated bibliographic information in entries 2205067, 2238961. |
2238961.cif |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238961.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 {}' |
2238961.cif |
| 97615 | 2014-01-29 | cif/ Adding structures of 2238961 via cif-deposit CGI script. |
2238961.cif |
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Users of the data should acknowledge the original authors of the
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