Crystallography Open Database

Information card for entry 2223007

Preview

Coordinates	2223007.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	terephthalic acid‒4,4'-bipyridine (2/1)
Formula	C26 H20 N2 O8
Title of publication	Terephthalic acid‒4,4'-bipyridine (2/1)
Authors of publication	Wang, Suwen; Yang, Tianyu; Li, Zhongfang; Yu, Xianjin
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	9
Pages of publication	o2198
a	7.788 ± 0.01 Å
b	6.814 ± 0.008 Å
c	20.77 ± 0.03 Å
α	90°
β	92.25 ± 0.02°
γ	90°
Cell volume	1101 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1488
Weighted residual factors for all reflections included in the refinement	0.1783
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

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)	2223007.cif
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.	2223007.cif
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2223007.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2223007.cif
77442	2013-03-27	cod/ (saulius@koala.ibt.lt) Removing atomic coordinates from 8 retracted paper CIFs in cif/2/ and adding the _cod_error_* data items to the corresponding CIFs in retracted/ (where necessary).	2223007.cif
32112	2012-02-03	cif/: committing an update of 45+ thous files, with information appended from the originals.	2223007.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2223007.cif
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).	2223007.cif
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.	2223007.cif
1045	2010-03-20	cod/cif/2/ Moving 39 more retracted structures and their corresponding .smi files to the retracted/2010.03.20/ directory; adding _cod_depositor_comment to describe the circumstancies of retraction.	2223007.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.	2223007.cif
828	2009-10-12	cod/cif/ Depositing structures from the Acta-Cryst-C-2009_09/, Acta-Cryst-E-2009_09/ and Chem-Comm-2009_01-38/ data.	2223007.cif