Crystallography Open Database

Information card for entry 4131734

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Coordinates	4131734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H48 O34 Th6
Calculated formula	C64 H48 O34 Th6
Title of publication	Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks.
Authors of publication	Dolgopolova, Ekaterina A.; Ejegbavwo, Otega A.; Martin, Corey R.; Smith, Mark D.; Setyawan, Wahyu; Karakalos, Stavros G.; Henager, Charles H.; Zur Loye, Hans-Conrad; Shustova, Natalia B.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	46
Pages of publication	16852 - 16861
a	24.8785 ± 0.0008 Å
b	24.8785 ± 0.0008 Å
c	17.5034 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	10833.6 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	131
Hermann-Mauguin space group symbol	P 42/m m c
Hall space group symbol	-P 4c 2
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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
241903 (current)	2019-11-25	cif/ Adding structures of 4131734 via cif-deposit CGI script.	4131734.cif