Crystallography Open Database

Information card for entry 4003685

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Coordinates	4003685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ce38 O33.33
Calculated formula	Ce38 O33.3332
Title of publication	Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters
Authors of publication	Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.
Journal of publication	Chemistry of Materials
Year of publication	2020
a	25.1726 ± 0.0018 Å
b	25.1726 ± 0.0018 Å
c	36.76 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	23293 ± 3 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 K
Number of distinct elements	2
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.4172
Residual factor for significantly intense reflections	0.3723
Weighted residual factors for significantly intense reflections	0.7872
Weighted residual factors for all reflections included in the refinement	0.8067
Goodness-of-fit parameter for all reflections included in the refinement	3.644
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256461 (current)	2020-09-17	cif/ Adding structures of 4003685 via cif-deposit CGI script.	4003685.cif