Crystallography Open Database

Information card for entry 4316096

Preview

Coordinates	4316096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 N3 O14 U
Calculated formula	C10 N3 O14 U
Title of publication	Hydrothermal Synthesis of Uranyl Squarates and Squarate-Oxalates: Hydrolysis Trends and in Situ Oxalate Formation
Authors of publication	Clare E. Rowland; Christopher L. Cahill
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6716 - 6724
a	16.731 ± 0.017 Å
b	7.28 ± 0.008 Å
c	15.872 ± 0.016 Å
α	90°
β	113.294 ± 0.016°
γ	90°
Cell volume	1776 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0333
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
179240 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/60.	4316096.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316096.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316096.cif
9272	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316096 via cif-deposit CGI script.	4316096.cif