Crystallography Open Database

Information card for entry 4510155

Preview

Coordinates	4510155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 N5 O39 U5
Calculated formula	C8 H20 N5 O39 U5
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	15.1783 ± 0.0012 Å
b	13.5727 ± 0.001 Å
c	21.9418 ± 0.0013 Å
α	90°
β	114.569 ± 0.004°
γ	90°
Cell volume	4111 ± 0.5 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
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.	4510155.cif
106368	2014-03-15	cif/ Adding structures of 4510155 via cif-deposit CGI script.	4510155.cif