Crystallography Open Database

Information card for entry 4003686

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Coordinates	4003686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H80 Ce38 O114
Calculated formula	C114 H80 Ce38 O114
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	23.2865 ± 0.0008 Å
b	23.2865 ± 0.0008 Å
c	34.8183 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	18880.6 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1589
Residual factor for significantly intense reflections	0.1092
Weighted residual factors for significantly intense reflections	0.3307
Weighted residual factors for all reflections included in the refinement	0.4052
Goodness-of-fit parameter for all reflections included in the refinement	1.329
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
256462 (current)	2020-09-17	cif/ Adding structures of 4003686 via cif-deposit CGI script.	4003686.cif