Crystallography Open Database

Information card for entry 4349765

Preview

Coordinates	4349765.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dy2L4
Formula	C48 H56 Dy2 N8 O15
Calculated formula	C48 H56 Dy2 N8 O15
SMILES	[Dy]123456([O](c7cccc8ccc([n]4c78)C)[Dy]478([O]2c2cccc9ccc([n]5c29)C)([O]3c2cccc3ccc([n]6c23)C)(ON(=[O]8)=O)(ON(=[O]4)=O)ON(=[O]7)=O)Oc3cccc2ccc([n]1c32)C.[NH+](CC)(CC)CC.OCC.O
Title of publication	Construction of lanthanide single-molecule magnets with the “magnetic motif” [Dy(MQ)4]−
Authors of publication	Lyu, Deng-Ping; Zheng, Jie-Yu; Li, Quan-Wen; Liu, Jun-Liang; Chen, Yan-Cong; Jia, Jian-Hua; Tong, Ming-Liang
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	11
Pages of publication	1776
a	13.2768 ± 0.0004 Å
b	11.5328 ± 0.0003 Å
c	35.204 ± 0.0009 Å
α	90°
β	98.806 ± 0.001°
γ	90°
Cell volume	5326.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0537
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
235809 (current)	2019-11-24	cif/ Adding structures of 4349765, 4349766 via cif-deposit CGI script.	4349765.cif