Crystallography Open Database

Information card for entry 4502570

Preview

Coordinates	4502570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 O8 S3 U
Calculated formula	C21 H13 O8 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	21.829 ± 0.0011 Å
b	9.9841 ± 0.0005 Å
c	21.7784 ± 0.0011 Å
α	90°
β	112.214 ± 0.001°
γ	90°
Cell volume	4394.2 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
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.	4502570.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502570.cif
36478	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502569, 4502570, 4502571, 4502572, 4502573 via cif-deposit CGI script.	4502570.cif