Crystallography Open Database

Information card for entry 4511640

Preview

Coordinates	4511640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H59 O40 Tb U3
Calculated formula	C27 H33 O40 Tb U3
Title of publication	Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies
Authors of publication	Thuéry, Pierre; Harrowfield, Jack
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	8
Pages of publication	4214
a	31.0331 ± 0.0013 Å
b	10.0992 ± 0.0003 Å
c	16.5477 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5186.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179663 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16.	4511640.cif
122826	2014-09-06	cif/ Updating files of 4511635, 4511636, 4511637, 4511638, 4511639, 4511640, 4511641, 4511642 Original log message: Adding full bibliography for 4511635--4511642.cif.	4511640.cif
120445	2014-07-16	cif/ Adding structures of 4511635, 4511636, 4511637, 4511638, 4511639, 4511640, 4511641, 4511642 via cif-deposit CGI script.	4511640.cif