Crystallography Open Database

Information card for entry 1514402

Preview

Coordinates	1514402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H16 F30 N3 O2 U
Calculated formula	C44 H16 F30 N3 O2 U
SMILES	[U]123([F]c4c(N2c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c4F)([F]c2c(N3c3c(F)c(F)c(F)c(F)c3[F]1)c(F)c(F)c(F)c2F)([O]1CCCC1)([O]1CCCC1)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	11.0728 ± 0.0003 Å
b	11.7379 ± 0.0004 Å
c	20.3378 ± 0.0006 Å
α	79.419 ± 0.002°
β	80.189 ± 0.001°
γ	84.54 ± 0.002°
Cell volume	2554.81 ± 0.14 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0213
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0457
Weighted residual factors for all reflections included in the refinement	0.0466
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	1514402.cif
110121	2014-04-18	cif/ Adding structures of 1514400, 1514401, 1514402, 1514403, 1514404, 1514405, 1514406, 1514407 via cif-deposit CGI script.	1514402.cif