Crystallography Open Database

Information card for entry 2102062

2102061 << 2102062 >> 2102063

Preview

Coordinates	2102062.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H4 Na2 O4
Calculated formula	C8 H4 Na2 O4
SMILES	c1(ccc(cc1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Title of publication	Terephthalate salts: salts of monopositive cations
Authors of publication	Kaduk, James A.
Journal of publication	Acta Crystallographica Section B
Year of publication	2000
Journal volume	56
Journal issue	3
Pages of publication	474 - 485
a	3.54807 ± 0.00005 Å
b	10.81599 ± 0.00016 Å
c	18.9943 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	728.92 Å³
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P b c 21
Hall space group symbol	P 2c -2b
Goodness-of-fit parameter for all reflections	2.6
Diffraction radiation wavelength	1.14968 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2102062.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	2102062.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2102062.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2102062.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.	2102062.cif
340	2008-04-05	Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition.	2102062.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.	2102062.cif