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Information card for entry 2205067
Preview
| Coordinates | 2205067.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis(2-oxopyridinato N-oxide-κ^2^O,O')copper(II) |
|---|---|
| Formula | C10 H8 Cu N2 O4 |
| Calculated formula | C10 H8 Cu N2 O4 |
| 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 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219069 (current) | 2019-10-03 | cif/2/ Updated bibliographic information in entries 2205067, 2238961. |
2205067.cif |
| 176774 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/20. |
2205067.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
2205067.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2205067.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2205067.cif |
| 20918 | 2011-06-16 | smi/2 A bunch of SMILES with atoms in special positions. A few minor fixes on some CIFs |
2205067.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2205067.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
2205067.cif |
| 326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2205067.cif |
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Users of the data should acknowledge the original authors of the
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