Crystallography Open Database

Information card for entry 2238651

Preview

Coordinates	2238651.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[μ~5~-(4-methoxybenzenesulfonato)-sodium]
Formula	C7 H7 Na O4 S
Calculated formula	C7 H7 Na O4 S
SMILES	S(=O)(=O)([O-])c1ccc(OC)cc1.[Na+]
Title of publication	Poly[μ~5~-(4-methoxybenzenesulfonato)-sodium]
Authors of publication	Chantrapromma, Suchada; Boonnak, Nawong; Fun, Hoong-Kun
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	m558
a	8.3121 ± 0.0008 Å
b	6.0287 ± 0.0006 Å
c	35.93 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1800.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0375
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.202
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238651.cif
171761	2015-12-30	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2.	2238651.cif
89600	2013-11-06	cif/ Adding structures of 2238651 via cif-deposit CGI script.	2238651.cif