Crystallography Open Database

Information card for entry 4511637

Preview

Coordinates	4511637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H90 N10 Ni2 O39 U4
Calculated formula	C86 H80 N10 Ni2 O39 U4
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	15.258 ± 0.0004 Å
b	18.0513 ± 0.001 Å
c	16.9899 ± 0.0008 Å
α	90°
β	95.344 ± 0.003°
γ	90°
Cell volume	4659.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	4511637.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.	4511637.cif
120445	2014-07-16	cif/ Adding structures of 4511635, 4511636, 4511637, 4511638, 4511639, 4511640, 4511641, 4511642 via cif-deposit CGI script.	4511637.cif