Crystallography Open Database

Information card for entry 4510156

Preview

Coordinates	4510156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 N3 O20 U3
Calculated formula	C6 H14 N3 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	10.761 ± 0.004 Å
b	12.478 ± 0.004 Å
c	15.846 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2127.7 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0418
Weighted residual factors for all reflections included in the refinement	0.0433
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4510156.cif
106370	2014-03-15	cif/ Adding structures of 4510156 via cif-deposit CGI script.	4510156.cif