Crystallography Open Database

Information card for entry 4511641

Preview

Coordinates	4511641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 N2 O20 U3
Calculated formula	C28 H36 N2 O20 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	8.9367 ± 0.0005 Å
b	9.4944 ± 0.0006 Å
c	11.9769 ± 0.0008 Å
α	83.967 ± 0.004°
β	73.74 ± 0.003°
γ	67.598 ± 0.003°
Cell volume	901.95 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4511641.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.	4511641.cif
120445	2014-07-16	cif/ Adding structures of 4511635, 4511636, 4511637, 4511638, 4511639, 4511640, 4511641, 4511642 via cif-deposit CGI script.	4511641.cif