Crystallography Open Database

Information card for entry 1515643

Preview

Coordinates	1515643.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	xwf22a
Formula	C13 H26 Cl2 Fe0.5 N3 O2 Re0.5
Calculated formula	C13 H26 Cl2 Fe0.5 N3 O2 Re0.5
Title of publication	Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets
Authors of publication	Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	9
Pages of publication	1688
a	10.778 Å
b	12.316 Å
c	14.407 Å
α	90°
β	107.01°
γ	90°
Cell volume	1828.75 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515643.cif
111891	2014-04-28	cif/ Adding structures of 1515641, 1515642, 1515643, 1515644, 1515645 via cif-deposit CGI script.	1515643.cif