Crystallography Open Database

Information card for entry 7235175

Preview

Coordinates	7235175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H32 Dy F9 N2 O6
Calculated formula	C43 H32 Dy F9 N2 O6
SMILES	c1ccc[n]2c1c1cccc[n]1[Dy]1342([O]=C(C(F)(F)F)C=C(O4)c2ccc(cc2)C)([O]=C(c2ccc(cc2)C)C=C(O1)C(F)(F)F)[O]=C(C=C(O3)c1ccc(C)cc1)C(F)(F)F
Title of publication	Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations
Authors of publication	Sheng Zhang; Haipeng Wu; Lin Sun; Hongshan Ke; Sanping Chen; Bing Yin; Qing Wei; Desuo Yang; Shengli Gao
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Pages of publication	1369 - 1382
a	12.429 ± 0.003 Å
b	17.651 ± 0.004 Å
c	21.655 ± 0.005 Å
α	87.902 ± 0.005°
β	74.279 ± 0.005°
γ	71.393 ± 0.004°
Cell volume	4327.5 ± 1.8 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	0.1032
Residual factor for significantly intense reflections	0.1225
Weighted residual factors for significantly intense reflections	0.2068
Weighted residual factors for all reflections included in the refinement	0.2561
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231032 (current)	2019-11-19	cif/ Adding structures of 7235174, 7235175, 7235176, 7235177 via cif-deposit CGI script.	7235175.cif