Crystallography Open Database

Information card for entry 4131728

Preview

Coordinates	4131728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.57 H48 O54.18 Th6 U4.05
Calculated formula	C71.564 H48 O54.128 Th6 U4.044
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	24.1119 ± 0.0014 Å
b	24.1119 ± 0.0014 Å
c	19.0718 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	11088 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1066
Residual factor for significantly intense reflections	0.098
Weighted residual factors for significantly intense reflections	0.2063
Weighted residual factors for all reflections included in the refinement	0.2109
Goodness-of-fit parameter for all reflections included in the refinement	1.217
Diffraction radiation probe	x-ray
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
241897 (current)	2019-11-25	cif/ Adding structures of 4131728 via cif-deposit CGI script.	4131728.cif