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Information card for entry 2011543
Preview
| Coordinates | 2011543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Aqua-bis(trans-2-butenoate)- bis(pyridine)copper(II) |
|---|---|
| Formula | C18 H22 Cu N2 O5 |
| Calculated formula | C18 H22 Cu N2 O5 |
| SMILES | c1cccc[n]1[Cu]([n]1ccccc1)(OC(=O)/C=C/C)(OC(=O)/C=C/C)[OH2] |
| Title of publication | Aquabis(crotonato)bis(pyridine)copper(II) |
| Authors of publication | Baggio, Ricardo; Foxman, Bruce; Garland, Maria Teresa; Perec, Mireille; Shang, Wen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 11 |
| Pages of publication | e505 - e506 |
| a | 15.922 ± 0.002 Å |
| b | 5.7331 ± 0.0008 Å |
| c | 21.341 ± 0.003 Å |
| α | 90° |
| β | 91.097 ± 0.011° |
| γ | 90° |
| Cell volume | 1947.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 1100908 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2011543.cif |
| 175233 | 2016-01-28 | cif/ (antanas@echidna.ibt.lt) Adding additional information from the original publication for entries 1100908, 2011543 and marking entry 2011543 as a duplicate of entry 1100908. |
2011543.cif |
| 125874 | 2014-10-25 | cod/ (saulius@kolibris) Adding DOIs to 358 Acta Cryst. C CIFs, found using ISSN, volume and first page. |
2011543.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2011543.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. |
2011543.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. |
2011543.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
2011543.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2011543.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
2011543.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
2011543.cif |
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Users of the data should acknowledge the original authors of the
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