Crystallography Open Database

Information card for entry 4109223

Preview

Coordinates	4109223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C198.33 H194.5 Cl5.33 N17.83 O24 U4
Calculated formula	C198.333 H194.49 Cl5.33333 N17.8333 O24 U4
Title of publication	Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State
Authors of publication	Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3641 - 3648
a	54.1597 ± 0.0007 Å
b	54.16 Å
c	33.1332 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	84168.4 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0657
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109223.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109223.cif
57978	2012-05-23	cif/ Adding structures of 4109223 via cif-deposit CGI script.	4109223.cif