Crystallography Open Database

Information card for entry 4316098

Preview

Coordinates	4316098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H7 N O14 U2
Calculated formula	C6 N O14 U2
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	9.0601 ± 0.0007 Å
b	15.7299 ± 0.0012 Å
c	10.5108 ± 0.0008 Å
α	90°
β	106.394 ± 0.001°
γ	90°
Cell volume	1437.04 ± 0.19 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0425
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
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.	4316098.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316098.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316098.cif
9274	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316098 via cif-deposit CGI script.	4316098.cif