Crystallography Open Database

Information card for entry 4510154

Preview

Coordinates	4510154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 N2 O20 U3
Calculated formula	C4 H10 N2 O20 U3
Title of publication	Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials
Authors of publication	de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1357
a	18.4129 ± 0.0009 Å
b	18.4129 ± 0.0009 Å
c	12.3856 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	3636.6 ± 0.3 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	5
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
179648 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01.	4510154.cif
106366	2014-03-15	cif/ Adding structures of 4510154 via cif-deposit CGI script.	4510154.cif