Crystallography Open Database

Information card for entry 7053285

Preview

Coordinates	7053285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H3 Cs N2 O3 S
Calculated formula	C3 H3 Cs N2 O3 S
Title of publication	Cation effect on the inorganic‒organic layered structure of pyrazole-4-sulfonate networks and inhibitory effects on copper corrosion
Authors of publication	Fernando, Isurika R.; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	2
Pages of publication	221
a	8.8211 ± 0.0014 Å
b	8.1086 ± 0.0013 Å
c	9.8888 ± 0.0015 Å
α	90°
β	91.56 ± 0.003°
γ	90°
Cell volume	707.05 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0219
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
180086 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32.	7053285.cif
92973	2014-01-12	cif/ Adding structures of 7053284, 7053285, 7053286, 7053287, 7053288 via cif-deposit CGI script.	7053285.cif