Crystallography Open Database

Information card for entry 7223095

Preview

Coordinates	7223095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Cu2 O6 S
Calculated formula	C8 H12 Cu2 O6 S
Title of publication	Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates
Authors of publication	Fujita, Wataru
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	47
Pages of publication	9193
a	16.769 ± 0.012 Å
b	6.45 ± 0.004 Å
c	10.595 ± 0.007 Å
α	90°
β	95.894 ± 0.007°
γ	90°
Cell volume	1139.9 ± 1.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
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	0.0887
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
173764 (current)	2016-01-09	cif/ Updating files of 7223093, 7223094, 7223095, 7223096 Original log message: Adding full bibliography for 7223093--7223096.cif.	7223095.cif
169914	2015-10-31	cif/ Adding structures of 7223093, 7223094, 7223095, 7223096 via cif-deposit CGI script.	7223095.cif