Crystallography Open Database

Information card for entry 7037222

Preview

Coordinates	7037222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 O14 U2
Calculated formula	C14 H10 O10 U2
Title of publication	Complexation of U(vi) with benzoic acid at variable temperatures (298-353 K): thermodynamics and crystal structures of U(vi)/benzoate complexes.
Authors of publication	Yang, Yanqiu; Teat, Simon J.; Zhang, Zhicheng; Luo, Shunzhong; Rao, Linfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	1
Pages of publication	384 - 391
a	38.41 ± 0.007 Å
b	38.41 ± 0.007 Å
c	8.7096 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	11128 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7037222.cif
176105	2016-02-05	cif/ Updating files of 7037222 Original log message: Adding full bibliography for 7037222.cif.	7037222.cif
170296	2015-11-14	cif/ Adding structures of 7037222 via cif-deposit CGI script.	7037222.cif