Crystallography Open Database

Information card for entry 1514400

Preview

Coordinates	1514400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 F40 N4 U
Calculated formula	C48 F40 N4 U
SMILES	[U]1234(N(c5c([F]1)c(F)c(F)c(F)c5F)c1c([F]2)c(F)c(F)c(F)c1F)(N(c1c([F]3)c(F)c(F)c(F)c1F)c1c([F]4)c(F)c(F)c(F)c1F)(N(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)N(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions
Authors of publication	Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	2
Pages of publication	798
a	23.5319 ± 0.0008 Å
b	12.9011 ± 0.0005 Å
c	16.0719 ± 0.0006 Å
α	90°
β	106.846 ± 0.002°
γ	90°
Cell volume	4669.8 ± 0.3 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0204
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0456
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514400.cif
110121	2014-04-18	cif/ Adding structures of 1514400, 1514401, 1514402, 1514403, 1514404, 1514405, 1514406, 1514407 via cif-deposit CGI script.	1514400.cif