Crystallography Open Database

Information card for entry 7711802

Preview

Coordinates	7711802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 Cl2 Dy N5 O3
Calculated formula	C20 H22 Cl2 Dy N6 O3
SMILES	[Dy]123(Cl)(Cl)(Oc4ccc(cc4N)N(=O)=O)[n]4c(cccc4)C[NH]1CC[NH]2Cc1cccc[n]31
Title of publication	Effects of strong coordination bonds at the axial or equatorial positions on magnetic relaxation for pentagonal bipyramidal dysprosium(III) single-ion magnets.
Authors of publication	Li, Min; Han, Jiayi; Wu, Haipeng; Du, Yi-En; Liu, Yufang; Chen, Yongqiang; Chen, Sanping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	44
Pages of publication	16964 - 16972
a	9.6018 ± 0.0002 Å
b	21.7017 ± 0.0005 Å
c	13.7591 ± 0.0003 Å
α	90°
β	107.146 ± 0.002°
γ	90°
Cell volume	2739.64 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.072
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279340 (current)	2022-11-17	cif/ Adding structures of 7711802, 7711803, 7711804 via cif-deposit CGI script.	7711802.cif