Crystallography Open Database

Information card for entry 4349626

Preview

Coordinates	4349626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 F12 O14 S4 Y2
Calculated formula	C48 H38 F12 O14 S4 Y2
SMILES	c1c(C2=[O][Y]3456([O](c7cccc8c7[O]3[Y]379([O]8C)([O](c8cccc(c8[O]63)[O]5C)C)(OC(=CC(c3cccs3)=[O]7)C(F)(F)F)OC(=CC(c3sccc3)=[O]9)C(F)(F)F)C)(OC(=C2)C(F)(F)F)OC(=CC(c2sccc2)=[O]4)C(F)(F)F)scc1
Title of publication	Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets
Authors of publication	Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	3
Pages of publication	499
a	10.9144 ± 0.0007 Å
b	11.052 ± 0.0009 Å
c	13.0251 ± 0.0012 Å
α	71.071 ± 0.008°
β	76.611 ± 0.007°
γ	67.152 ± 0.007°
Cell volume	1359.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0946
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1715
Weighted residual factors for all reflections included in the refinement	0.1913
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
234924 (current)	2019-11-23	cif/ Adding structures of 4349625, 4349626 via cif-deposit CGI script.	4349626.cif