Crystallography Open Database

Information card for entry 7054086

Preview

Coordinates	7054086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C234 H153 Br9 F162 N18 O72 S9 Tb9
Calculated formula	C234 H153 Br9 F162 N18 O72 S9 Tb9
Title of publication	Slow magnetic relaxation and antiferromagnetic ordering in a one dimensional nitronyl nitroxide‒Tb(iii) chain
Authors of publication	Liu, Ruina; Zhang, Congming; Mei, Xuelan; Hu, Peng; Tian, Haixia; Li, Licun; Liao, Daizheng; Sutter, Jean-Pascal
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	10
Pages of publication	2088
a	18.476 ± 0.004 Å
b	39.497 ± 0.008 Å
c	47.072 ± 0.009 Å
α	90°
β	96.06 ± 0.03°
γ	90°
Cell volume	34159 ± 12 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	8
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	0.1428
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.2107
Weighted residual factors for all reflections included in the refinement	0.2571
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180094 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/40.	7054086.cif
111108	2014-04-20	cif/ Adding structures of 7054085, 7054086 via cif-deposit CGI script.	7054086.cif