Crystallography Open Database

Information card for entry 4349632

Preview

Coordinates	4349632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 Dy2 F12 O14 S4
Calculated formula	C48 H38 Dy2 F12 O14 S4
SMILES	C(F)(F)(F)C1=CC(c2sccc2)=[O][Dy]2345(O1)([O](c1c6c(ccc1)[O](C)[Dy]178([O](c9c(c(ccc9)[O]2C)[O]31)C)([O]46)([O]=C(c1sccc1)C=C(C(F)(F)F)O8)OC(=CC(c1sccc1)=[O]7)C(F)(F)F)C)OC(=CC(c1sccc1)=[O]5)C(F)(F)F
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	10.9116 ± 0.0004 Å
b	11.0698 ± 0.0005 Å
c	13.023 ± 0.0005 Å
α	71.207 ± 0.004°
β	76.793 ± 0.003°
γ	67.239 ± 0.004°
Cell volume	1363.46 ± 0.11 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	0.0504
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
234928 (current)	2019-11-23	cif/ Adding structures of 4349632, 4349633, 4349634 via cif-deposit CGI script.	4349632.cif