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Information card for entry 2215329
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| Coordinates | 2215329.cif |
|---|---|
| Structure factors | 2215329.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,2'-bipyridine-κ<i>N</i>,<i>N</i>')bis(thiocyanato-κN)iron(II) |
|---|---|
| Formula | C22 H16 Fe N6 S2 |
| Title of publication | Bis(2,2'-bipyridine-κ<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)iron(II) |
| Authors of publication | Liu, T.; Zhu, J. Y. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 10 |
| Pages of publication | m2506 - m2507 |
| a | 16.087 ± 0.003 Å |
| b | 16.0117 ± 0.0011 Å |
| c | 17.0781 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4399 ± 0.9 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.1035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249437 (current) | 2020-03-17 | cif/2/ Switching from COD_ERROR to COD_ENTRY_ISSUE CIF data items to describe the retraction in COD entries retracted via the the Acta Cryst. E editorial: William T. A. Harrison, Jim Simpson and Matthias Weil, Acta Cryst. E 66 (2010) e1--e2 http://journals.iucr.org/e/issues/2010/01/00/me0406/index.html http://journals.iucr.org/e/issues/2010/01/00/me0406/me0406.pdf doi:10.1107/S1600536809051757 (http://dx.doi.org/10.1107/S1600536809051757) |
2215329.cif 2215329.hkl |
| 192456 | 2017-02-22 | cif/ Updating a link to the collection of the original retracted structures in the boilerplates of retracted entires: changing from HTTP protocol to SVN. |
2215329.cif 2215329.hkl |
| 181073 | 2016-04-03 | hkl/2/21/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/21/53. |
2215329.cif 2215329.hkl |
| 176787 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/21. |
2215329.cif 2215329.hkl |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2215329.cif 2215329.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2215329.cif 2215329.hkl |
| 77446 | 2013-03-27 | cod/ (saulius@koala.ibt.lt) Removing atomic coordinates from the rest of the retracted entries: mysql --column-names=0 -u cod_reader cod -h cod.ibt.lt -e 'select file from data where status = "retracted" and flags like "%has coord%"' \ | xargs -i find cif/2/ -name .svn -prune -o -name {}.cif -print \ | xargs -t -i sh -c 'perl -i -ne "if( /^_atom_site_occupancy$/) { print \$_, \".\" . (\" .\" x 9) . \"\n\"; exit 0 }; print" {}' (the old coordinates before the retraction can be found in the COD retracted/ directory). |
2215329.cif 2215329.hkl |
| 32112 | 2012-02-03 | cif/: committing an update of 45+ thous files, with information appended from the originals. | 2215329.cif 2215329.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2215329.cif 2215329.hkl |
| 26029 | 2011-09-17 | cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names). |
2215329.cif 2215329.hkl |
| 26025 | 2011-09-16 | hkl/2/ Adding assigned Fobs files for the 1980-2010 IUCr data. |
2215329.cif 2215329.hkl |
| 25271 | 2011-09-10 | cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields. |
2215329.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. |
2215329.cif |
| 958 | 2010-01-20 | cif/ Replacing non-ASCII characters in all retraction notes. |
2215329.cif |
| 955 | 2010-01-20 | Cleaning away the retracted structures from COD. The retracted structures are described in the me0406.pdf IUCr Acta Cryst. E editorial, and the list of the retracted papers was receved from Peter Strickland <ps@iucr.org> (IUCr) in his 2009-12-22 11:38 e-mail, attached file retracted_articles.txt. |
2215329.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. |
2215329.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
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