Crystallography Open Database

Information card for entry 4502569

Preview

Coordinates	4502569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H14 O9 S3 U
Calculated formula	C21 H14 O9 S3 U
Title of publication	Hydrothermal Synthesis of Disulfide-Containing Uranyl Compounds: In Situ Ligand Synthesis versus Direct Assembly
Authors of publication	Rowland, Clare E.; Belai, Nebebech; Knope, Karah E.; Cahill, Christopher L.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	3
Pages of publication	1390
a	27.4012 ± 0.0012 Å
b	27.4012 ± 0.0012 Å
c	17.2577 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	11221.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
179556 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/25.	4502569.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502569.cif
36478	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502569, 4502570, 4502571, 4502572, 4502573 via cif-deposit CGI script.	4502569.cif