Crystallography Open Database

Information card for entry 2019251

2019250 << 2019251 >> 2019252

Preview

Coordinates	2019251.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[hexa-μ-aqua-diaquabis{μ~3~-2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetato}tetrasodium(I)]
Formula	C16 H20 Na2 O12 S
Calculated formula	C16 H20 Na2 O12 S
SMILES	[Na+].[Na+].O(CC(=O)[O-])c1ccc(cc1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1.O.O.O.O
Title of publication	Two sodium(I) coordination polymers constructed by the V-shaped ligands 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid and 2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetic acid
Authors of publication	Huang, Qiu-Ying; Liu, Chun-Li; Zhou, Zi-Peng
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	1322 - 1327
a	8.098 ± 0.0013 Å
b	8.382 ± 0.0014 Å
c	15.291 ± 0.002 Å
α	75.492 ± 0.001°
β	87.242 ± 0.002°
γ	86.712 ± 0.003°
Cell volume	1002.6 ± 0.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
183154 (current)	2016-05-30	cif/2 Fixing a few Z values and formulae	2019251.cif
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019251.cif
91184	2013-12-09	cif/ Adding structures of 2019250, 2019251 via cif-deposit CGI script.	2019251.cif