Crystallography Open Database

Information card for entry 7054085

Preview

Coordinates	7054085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C234 H153 Br9 F162 Gd9 N18 O72 S9
Calculated formula	C234 H153 Br9 F162 Gd9 N18 O72 S9
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	18.489 ± 0.0008 Å
b	39.5013 ± 0.0017 Å
c	47.111 ± 0.002 Å
α	90°
β	96.154 ± 0.001°
γ	90°
Cell volume	34209 ± 3 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	0.2162
Residual factor for significantly intense reflections	0.1034
Weighted residual factors for significantly intense reflections	0.2241
Weighted residual factors for all reflections included in the refinement	0.313
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7054085.cif
111108	2014-04-20	cif/ Adding structures of 7054085, 7054086 via cif-deposit CGI script.	7054085.cif