Crystallography Open Database

Information card for entry 7709071

Preview

Coordinates	7709071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H39 Cl Dy N7 O7
Calculated formula	C46 H39 Cl Dy N7 O7
SMILES	[Dy]1234(Oc5ccccc5C=[N]1O)(Oc1ccccc1C=[N]2O)([n]1cccc2c1c1[n]3cccc1cc2)[n]1cccc2ccc3ccc[n]4c3c12.[Cl-].Oc1ccccc1/C=N/O.OC
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	13.5337 ± 0.0019 Å
b	18.459 ± 0.003 Å
c	18.405 ± 0.002 Å
α	90°
β	111.693 ± 0.009°
γ	90°
Cell volume	4272.3 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	7709071.cif