Crystallography Open Database

Information card for entry 7230554

Preview

Coordinates	7230554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 F18 N5 O9 Tb
Calculated formula	C25 H21 F18 N5 O9 Tb
Title of publication	A family of multi-spin rare-earth complexes based on a triazole nitronyl nitroxide radical: synthesis, structure and magnetic properties
Authors of publication	Chen, Peng Yun; Wu, Ming Ze; Shi, Xiu Juan; Tian, Li
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	28
Pages of publication	15480
a	9.9958 ± 0.0003 Å
b	12.3076 ± 0.0004 Å
c	16.1878 ± 0.0006 Å
α	105.052 ± 0.003°
β	103.9 ± 0.003°
γ	99.476 ± 0.003°
Cell volume	1811.28 ± 0.12 Å³
Cell temperature	113.01 ± 0.1 K
Ambient diffraction temperature	113.01 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
207463 (current)	2018-04-24	cif/ Adding structures of 7230552, 7230553, 7230554 via cif-deposit CGI script.	7230554.cif