Crystallography Open Database

Information card for entry 7113829

Preview

Coordinates	7113829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 Cl N3 O6 U
Calculated formula	C38 H38 Cl N3 O6 U
SMILES	c1(ccccc1)COc1c2c(ccc1)C=[N]1c3c(cccc3)[N]3=Cc4c(c(ccc4)OCc4ccccc4)O[U]13(=O)(=O)(O2)Cl.C[N+](C)(C)C
Title of publication	Uranyl-salophen based ditopic receptors for the recognition of quaternary ammonium halides
Authors of publication	Cametti, Massimo; Nissinen, Maija; Cort, Antonella Dalla; Mandolini, Luigi; Rissanen, Kari
Journal of publication	Chemical Communications
Year of publication	2003
Journal issue	19
Pages of publication	2420
a	19.293 ± 0.003 Å
b	19.293 ± 0.003 Å
c	19.421 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7229 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
180252 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113829.cif
115298	2014-06-02	cif/ Adding structures of 7113829, 7113830 via cif-deposit CGI script.	7113829.cif