Crystallography Open Database

Information card for entry 7226742

Preview

Coordinates	7226742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Cu3 O17 S2
Calculated formula	C24 H30 Cu3 O17 S2
Title of publication	Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks
Authors of publication	Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	44
Pages of publication	8614
a	17.2932 ± 0.0013 Å
b	5.7712 ± 0.0002 Å
c	31.2089 ± 0.0019 Å
α	90°
β	93.088 ± 0.004°
γ	90°
Cell volume	3110.2 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0756
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
190085 (current)	2017-01-09	cif/ Updating files of 7226738, 7226739, 7226740, 7226741, 7226742, 7226743, 7226744 Original log message: Adding full bibliography for 7226738--7226744.cif.	7226742.cif
187217	2016-10-08	cif/ Adding structures of 7226738, 7226739, 7226740, 7226741, 7226742, 7226743, 7226744 via cif-deposit CGI script.	7226742.cif