Crystallography Open Database

Information card for entry 4349673

Preview

Coordinates	4349673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H102 Gd4 N14 O16 S6
Calculated formula	C114 H98 Gd4 N14 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	12.516 ± 0.002 Å
b	14.781 ± 0.003 Å
c	31.602 ± 0.005 Å
α	90°
β	98.855 ± 0.003°
γ	90°
Cell volume	5776.7 ± 1.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 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	0.096
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.1984
Weighted residual factors for all reflections included in the refinement	0.2108
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4349673.cif