Crystallography Open Database

Information card for entry 4316566

Preview

Coordinates	4316566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 N2 O8 U
Calculated formula	C4 N2 O8 U
Title of publication	Capturing Hydrolysis Products in the Solid State: Effects of pH on Uranyl Squarates under Ambient Conditions
Authors of publication	Clare E. Rowland; Christopher L. Cahill
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8668 - 8673
a	8.5157 ± 0.0004 Å
b	15.6838 ± 0.0008 Å
c	7.398 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	988.07 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
179245 (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 4/31/65.	4316566.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316566.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316566.cif
9899	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316566 via cif-deposit CGI script.	4316566.cif