Crystallography Open Database

Information card for entry 4335539

Preview

Coordinates	4335539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H114 Cl4 N8 O20 U2
Calculated formula	C68 H114 Cl4 N8 O20 U2
Title of publication	Uranyl Complexes of Alkyl-Bridged Ditopic Diaminotetraphenol Ligands and Their Use as Uranyl Ion Extractors
Authors of publication	Antti Riisiö; Ari Väisänen; Reijo Sillanpää
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8591 - 8600
a	16.7441 ± 0.0003 Å
b	30.2719 ± 0.0006 Å
c	16.3369 ± 0.0003 Å
α	90°
β	93.939 ± 0.001°
γ	90°
Cell volume	8261.2 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
179458 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/55.	4335539.cif
101472	2014-02-14	cif/ Adding structures of 4335539 via cif-deposit CGI script.	4335539.cif