Crystallography Open Database

Information card for entry 7704641

Preview

Coordinates	7704641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 Cl2 Dy2 N4 O13
Calculated formula	C40 H46 Cl2 Dy2 N4 O13
SMILES	[Dy]123456([O]7[Dy]89([O]1c1c(cccc1[O]8C)C[N]6=Cc1c(O3)cc(Cl)cc1)(Oc1cc(Cl)ccc1C=[N]9Cc1c7c([O]2C)ccc1)([O]=C(O4)C)OC(=O)C)ON(=O)=[O]5.[NH+](CC)(CC)CC
Title of publication	Designing asymmetric Dy<sub>2</sub> single-molecule magnets with two-step relaxation processes by the modification of the coordination environments of Dy(iii) ions.
Authors of publication	Huang, Yuan; Li, Jia-Xin; Ge, Yu; Zhang, Xia-Mei; Xu, Yang; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-Lei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	26
Pages of publication	8976 - 8984
a	9.9104 ± 0.0005 Å
b	13.649 ± 0.0007 Å
c	17.3574 ± 0.0009 Å
α	99.61 ± 0.002°
β	106.439 ± 0.002°
γ	94.958 ± 0.002°
Cell volume	2198 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0419
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
254998 (current)	2020-08-06	cif/ Updating files of 7704641, 7704642 Original log message: Adding full bibliography for 7704641--7704642.cif.	7704641.cif
253024	2020-06-09	cif/ Adding structures of 7704641, 7704642 via cif-deposit CGI script.	7704641.cif