Crystallography Open Database

Information card for entry 4335538

Preview

Coordinates	4335538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H94 N4 O16 U2
Calculated formula	C60 H94 N4 O16 U2
SMILES	c12c(cc(cc2C)C(C)(C)C)C[NH+](Cc2cc(cc(c2O[U]2(=O)(=O)(O1)(ON(=[O]2)=O)[OH]C(C)C)C)C(C)(C)C)CCCCCC[NH+]1Cc2c(c(cc(c2)C(C)(C)C)C)O[U]2(=O)(=O)(Oc3c(C1)cc(cc3C)C(C)(C)C)(ON(O2)=O)[OH]C(C)C
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	11.4371 ± 0.0003 Å
b	11.9448 ± 0.0004 Å
c	14.2944 ± 0.0004 Å
α	110.055 ± 0.003°
β	100.201 ± 0.002°
γ	108.498 ± 0.003°
Cell volume	1647.6 ± 0.11 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	0.0265
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0514
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
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.	4335538.cif
101471	2014-02-14	cif/ Adding structures of 4335538 via cif-deposit CGI script.	4335538.cif