Crystallography Open Database

Information card for entry 7709069

Preview

Coordinates	7709069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 Dy N5 O6
Calculated formula	C31 H26 Dy N5 O6
SMILES	[Dy]1234(Oc5ccccc5C=[N]1O)(Oc1ccccc1C=[N]2O)(Oc1ccccc1C=[N]3O)[n]1ccccc1c1[n]4cccc1
Title of publication	Slow relaxations of Dy(III) single-ion magnets dominated by simultaneous binding of chelating ligands in low-symmetry ligand-fields
Authors of publication	Dong, Hui-Ming; Liu, Zhong-Yi; Tang, Hui-Min; Yang, En-Cui; Zhang, Yi-Quan; Zhao, Xiao-Jun
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.249 ± 0.002 Å
b	10.84 ± 0.003 Å
c	14.915 ± 0.003 Å
α	90.353 ± 0.005°
β	105.031 ± 0.005°
γ	111.198 ± 0.004°
Cell volume	1482.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0489
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
271371 (current)	2021-12-14	cif/ Adding structures of 7709069, 7709070, 7709071 via cif-deposit CGI script.	7709069.cif