Crystallography Open Database

Information card for entry 4334082

Preview

Coordinates	4334082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 N2 Na2 O18 U
Calculated formula	C14 H6 N2 Na2 O18 U
SMILES	C1(=O)c2cccc3[n]2[U]24(=O)(O1)([n]1c(C(=O)O2)cccc1C(=O)O4)(=O)OC3=O.[Na+].O.O.O.[Na+].O.O.O.O.O
Title of publication	Complexation of U(VI) with Dipicolinic Acid: Thermodynamics and Coordination Modes
Authors of publication	Chao Xu; Guoxin Tian; Simon J. Teat; Linfeng Rao
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2750 - 2756
a	15.397 ± 0.008 Å
b	7.036 ± 0.004 Å
c	13.178 ± 0.011 Å
α	90°
β	124.316 ± 0.005°
γ	90°
Cell volume	1179.1 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchtrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179443 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40.	4334082.cif
99892	2014-02-03	cif/ Adding structures of 4334082 via cif-deposit CGI script.	4334082.cif