Crystallography Open Database

Information card for entry 4131730

Preview

Coordinates	4131730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H48 O40.08 U0.88 Zr6
Calculated formula	C64 H48 O40.208 U0.878 Zr6
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	24.0528 ± 0.0009 Å
b	24.0528 ± 0.0009 Å
c	15.706 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	9086.5 ± 0.6 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	0.0869
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.182
Weighted residual factors for all reflections included in the refinement	0.2046
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
241899 (current)	2019-11-25	cif/ Adding structures of 4131730 via cif-deposit CGI script.	4131730.cif