Crystallography Open Database

Information card for entry 7058337

Preview

Coordinates	7058337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H81 Cl2 Cu3 Gd2 N17 O14
Calculated formula	C58 H81 Cl2 Cu3 Gd2 N17 O14
Title of publication	Synthesis, crystal structures and magnetic properties of a series of pentanuclear heterometallic [CuII3LnIII2] (Ln = Ho, Dy, and Gd) complexes containing mixed organic ligands
Authors of publication	Chen, Yong; Long, Qiao-Qiao; Hu, Zhao-Bo; Wang, Hui-Sheng; Huang, Zhi-Yong; Chen, Wei; Song, You; Zhang, Zai-Chao; Yang, Feng-Jun
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	21
Pages of publication	8101
a	12.3998 ± 0.0006 Å
b	20.2013 ± 0.0008 Å
c	28.1694 ± 0.0012 Å
α	90°
β	90.927 ± 0.001°
γ	90°
Cell volume	7055.3 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1204
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
224937 (current)	2019-11-08	cif/ Updating files of 7058336, 7058337, 7058338 Original log message: Adding full bibliography for 7058336--7058338.cif.	7058337.cif
214841	2019-04-30	cif/ Adding structures of 7058336, 7058337, 7058338 via cif-deposit CGI script.	7058337.cif