Crystallography Open Database

Information card for entry 4109220

Preview

Coordinates	4109220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H36 N4 O6 U
Calculated formula	C46 H36 N4 O6 U
SMILES	[U]123(=O)(=O)([N](c4c([N]1=Cc1c(O2)c(OCc2ccc5c(cccc5)c2)ccc1)cccc4)=Cc1cccc(OCc2ccc4c(c2)cccc4)c1O3)[N]#CC.N#CC
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	11.8206 ± 0.0002 Å
b	12.8609 ± 0.0003 Å
c	14.8464 ± 0.0004 Å
α	73.701 ± 0.001°
β	88.331 ± 0.001°
γ	64.804 ± 0.001°
Cell volume	1949.55 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0441
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178838 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92.	4109220.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109220.cif
57975	2012-05-23	cif/ Adding structures of 4109220 via cif-deposit CGI script.	4109220.cif