Crystallography Open Database

Information card for entry 4316567

Preview

Coordinates	4316567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H40 N4 O41 U6
Calculated formula	C12 O32 U6
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	16.6897 ± 0.0007 Å
b	16.6897 ± 0.0007 Å
c	16.6897 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4648.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	197
Hermann-Mauguin space group symbol	I 2 3
Hall space group symbol	I 2 2 3
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.239
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
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.	4316567.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316567.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316567.cif
9901	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316567 via cif-deposit CGI script.	4316567.cif