Crystallography Open Database

Information card for entry 7711803

Preview

Coordinates	7711803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Cl3 Dy N6 O4
Calculated formula	C20 H22 Cl3 Dy N6 O3
SMILES	[Dy]123(Cl)(Cl)(Oc4c(N)cc(N(=O)=O)cc4Cl)[n]4c(C[NH]3CC[NH]1Cc1[n]2cccc1)cccc4
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	9.6107 ± 0.0018 Å
b	22.067 ± 0.004 Å
c	13.874 ± 0.003 Å
α	90°
β	107.554 ± 0.003°
γ	90°
Cell volume	2805.4 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1156
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
279340 (current)	2022-11-17	cif/ Adding structures of 7711802, 7711803, 7711804 via cif-deposit CGI script.	7711803.cif