Crystallography Open Database

Information card for entry 4349671

Preview

Coordinates	4349671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C158 H124 Ho4 N16 O16 S6
Calculated formula	C158 H124 Ho4 N16 O16 S6
Title of publication	Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands
Authors of publication	Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	5
Pages of publication	860
a	15.1618 ± 0.0009 Å
b	16.1596 ± 0.0009 Å
c	16.5171 ± 0.0011 Å
α	77.286 ± 0.006°
β	70.591 ± 0.005°
γ	76.91 ± 0.006°
Cell volume	3671.2 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 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	0.0509
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
235732 (current)	2019-11-24	cif/ Adding structures of 4349667, 4349668, 4349669, 4349670, 4349671, 4349672, 4349673, 4349674, 4349675, 4349676 via cif-deposit CGI script.	4349671.cif