Crystallography Open Database

Information card for entry 7048244

Preview

Coordinates	7048244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Cl N6 Na2 O14 U
Calculated formula	C15 H13 Cl N6 Na2 O14 U
SMILES	[U]1(OC(=O)c2[n]1nccc2)(OC(=O)c1nnccc1)(OC(=O)c1nnccc1)(=O)=O.Cl(=O)(=O)(=O)[O-].O.O.[Na+].[Na+]
Title of publication	A structural and thermodynamic study of the complexes of U(vi) with azinecarboxylates.
Authors of publication	Lv, Lina; Chen, Baihua; Liu, Jun; Chen, Jing; Xu, Chao; Yang, Yanqiu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	2
Pages of publication	566 - 577
a	15.1242 ± 0.0003 Å
b	7.0651 ± 0.0001 Å
c	23.2973 ± 0.0005 Å
α	90°
β	104.6 ± 0.002°
γ	90°
Cell volume	2409.02 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
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
224134 (current)	2019-11-07	cif/ Updating files of 7048244, 7048245, 7048246, 7048247 Original log message: Adding full bibliography for 7048244--7048247.cif.	7048244.cif
212188	2018-11-27	cif/ Adding structures of 7048244, 7048245, 7048246, 7048247 via cif-deposit CGI script.	7048244.cif