Crystallography Open Database

Information card for entry 1514404

Preview

Coordinates	1514404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 F6 N
Calculated formula	C14 H9 F6 N
SMILES	FC(c1cc(Nc2ccccc2)cc(c1)C(F)(F)F)(F)F
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	10.0174 ± 0.0007 Å
b	15.9406 ± 0.0012 Å
c	7.9776 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1273.89 ± 0.16 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
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.	1514404.cif
110121	2014-04-18	cif/ Adding structures of 1514400, 1514401, 1514402, 1514403, 1514404, 1514405, 1514406, 1514407 via cif-deposit CGI script.	1514404.cif