Crystallography Open Database

Information card for entry 1514403

Preview

Coordinates	1514403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88.5 H66 F18 N3 O2 P2 U
Calculated formula	C88.5 H66 F18 N3 O2 P2 U
SMILES	FC(c1cc(cc(c1)C(F)(F)F)N([U](N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1)(N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(F)F.Cc1ccccc1.Cc1ccccc1
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	13.4814 ± 0.0008 Å
b	16.1925 ± 0.001 Å
c	19.0979 ± 0.0011 Å
α	76.559 ± 0.003°
β	87.948 ± 0.003°
γ	84.674 ± 0.003°
Cell volume	4036.9 ± 0.4 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1514403.cif
110121	2014-04-18	cif/ Adding structures of 1514400, 1514401, 1514402, 1514403, 1514404, 1514405, 1514406, 1514407 via cif-deposit CGI script.	1514403.cif