Crystallography Open Database

Information card for entry 7226744

Preview

Coordinates	7226744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Cu3 O14 S2
Calculated formula	C14 H18 Cu3 O14 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	9.2709 ± 0.0007 Å
b	10.6339 ± 0.0017 Å
c	11.848 ± 0.002 Å
α	82.673 ± 0.016°
β	70.523 ± 0.014°
γ	69.251 ± 0.012°
Cell volume	1029.7 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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.	7226744.cif
187217	2016-10-08	cif/ Adding structures of 7226738, 7226739, 7226740, 7226741, 7226742, 7226743, 7226744 via cif-deposit CGI script.	7226744.cif