Crystallography Open Database

Information card for entry 7234199

Preview

Coordinates	7234199.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	EIFD dy TPPO
Formula	C60 H48 Dy F9 N3 O7 P
Calculated formula	C60 H48 Dy F9 N3 O7 P
SMILES	[Dy]123(OC(=CC(=[O]1)C(F)(F)F)c1c4ccccc4n(CC)c1)([O]=C(C(F)(F)F)C=C(O2)c1cn(CC)c2c1cccc2)(OC(=CC(=[O]3)C(F)(F)F)c1c2ccccc2n(c1)CC)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization
Authors of publication	Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	4407 - 4415
a	12.96 ± 0.005 Å
b	13.524 ± 0.005 Å
c	18.921 ± 0.005 Å
α	70.34 ± 0.005°
β	81.202 ± 0.005°
γ	62.275 ± 0.005°
Cell volume	2764.4 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218874 (current)	2019-09-26	cif/ Adding structures of 7234196, 7234197, 7234198, 7234199 via cif-deposit CGI script.	7234199.cif