Crystallography Open Database

Information card for entry 7207136

7207135 << 7207136 >> 7207137

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Coordinates	7207136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 Cd N4 O8 S2
Calculated formula	C6 H10 Cd N4 O8 S2
Title of publication	Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films
Authors of publication	Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	3
Pages of publication	908
a	8.6676 ± 0.0014 Å
b	10.1917 ± 0.0016 Å
c	7.5121 ± 0.0012 Å
α	90°
β	95.644 ± 0.003°
γ	90°
Cell volume	660.38 ± 0.18 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	0.0209
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
180402 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/71.	7207136.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207136.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7207136.cif
32487	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7207135, 7207136, 7207137, 7207138, 7207139 via cif-deposit CGI script.	7207136.cif