Crystallography Open Database

Information card for entry 7235177

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Structure parameters

Formula	C42 H23 Dy F12 N2 O6
Calculated formula	C42 H23 Dy F12 N2 O6
SMILES	c1c(ccc(c1)C1=[O][Dy]234([O]=C(C=C(O2)c2ccc(F)cc2)C(F)(F)F)(OC(=C1)C(F)(F)F)([O]=C(C=C(O3)c1ccc(F)cc1)C(F)(F)F)[n]1c2c(ccc3c2[n]4ccc3)ccc1)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	10.273 ± 0.002 Å
b	13.625 ± 0.003 Å
c	15.204 ± 0.003 Å
α	83.405 ± 0.004°
β	87.777 ± 0.004°
γ	76.586 ± 0.004°
Cell volume	2056.2 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1739
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1905
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7235177.cif
231032	2019-11-19	cif/ Adding structures of 7235174, 7235175, 7235176, 7235177 via cif-deposit CGI script.	7235177.cif