Crystallography Open Database

Information card for entry 4131727

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Coordinates	4131727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H56 O32 Zr6
Calculated formula	C84 H56 O32 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	23.9392 ± 0.0011 Å
b	23.9392 ± 0.0011 Å
c	15.6881 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8990.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.131
Residual factor for significantly intense reflections	0.1084
Weighted residual factors for significantly intense reflections	0.3373
Weighted residual factors for all reflections included in the refinement	0.3533
Goodness-of-fit parameter for all reflections included in the refinement	1.398
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
241896 (current)	2019-11-25	cif/ Adding structures of 4131727 via cif-deposit CGI script.	4131727.cif