Crystallography Open Database

Information card for entry 4349629

Preview

Coordinates	4349629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H62 Dy2 F12 O18
Calculated formula	C74 H62 Dy2 F12 O18
SMILES	C1(=[O][Dy]2345(OC(=C1)C(F)(F)F)(OC(C(F)(F)F)=CC(=[O]5)c1ccc5ccccc5c1)([OH]C)[O](c1cccc5[O](C)[Dy]678([O](c9cccc([O]4C)c9[O]26)C)([O]3c15)([O]=C(C=C(C(F)(F)F)O7)c1ccc2ccccc2c1)([O]=C(C=C(O8)C(F)(F)F)c1ccc2ccccc2c1)[OH]C)C)c1ccc2ccccc2c1.O.O
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	10.4693 ± 0.0005 Å
b	14.2053 ± 0.0008 Å
c	14.5234 ± 0.0007 Å
α	105.513 ± 0.005°
β	101.95 ± 0.004°
γ	111.582 ± 0.005°
Cell volume	1819.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation probe	x-ray
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
234926 (current)	2019-11-23	cif/ Adding structures of 4349627, 4349628, 4349629, 4349630, 4349631 via cif-deposit CGI script.	4349629.cif