Crystallography Open Database

Information card for entry 4109222

Preview

Coordinates	4109222.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C106 H104 Cl2 N10 O16 U2
Calculated formula	C106 H104 Cl2 N10 O16 U2
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	12.3021 ± 0.0001 Å
b	16.8778 ± 0.0002 Å
c	26.4855 ± 0.0003 Å
α	72.561 ± 0.0004°
β	84.5141 ± 0.0006°
γ	75.4356 ± 0.0006°
Cell volume	5076.67 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
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.	4109222.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109222.cif
57977	2012-05-23	cif/ Adding structures of 4109222 via cif-deposit CGI script.	4109222.cif