Crystallography Open Database

Information card for entry 4126676

Preview

Coordinates	4126676.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Gd32
Formula	C72 H168 Gd32 N24 O156
Calculated formula	C72 H168 Gd32 N24 O156
Title of publication	Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling "Fingerprints" in Giant Gadolinium(III) Cages.
Authors of publication	Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	19.4129 ± 0.0007 Å
b	19.4129 ± 0.0007 Å
c	19.4129 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7316 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	200
Hermann-Mauguin space group symbol	P m -3
Hall space group symbol	-P 2 2 3
Residual factor for all reflections	0.1398
Residual factor for significantly intense reflections	0.1075
Weighted residual factors for significantly intense reflections	0.225
Weighted residual factors for all reflections included in the refinement	0.2546
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
202561 (current)	2017-11-04	cif/ Adding structures of 4126673, 4126674, 4126675, 4126676, 4126677, 4126678 via cif-deposit CGI script.	4126676.cif