Crystallography Open Database

Information card for entry 4316719

Preview

Coordinates	4316719.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	complex5 (Sinay)
Formula	C16 H12 F4 Li N3 O
Calculated formula	C16 H12 F4 Li N3 O
Title of publication	Chemoselectivity Diversity in the Reaction of LiNC6F5SiMe3 with Nitriles and the Synthesis, Structure, and Reactivity of Zirconium Mono- and Tris[2-(2-pyridyl)tetrafluorobenzimidazolate] Complexes
Authors of publication	Sinai Aharonovich; Mark Botoshansky; Robert M. Waymouth; Moris S. Eisen
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9217 - 9229
a	15.886 ± 0.0008 Å
b	11.78 ± 0.0006 Å
c	16.277 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3046 ± 0.3 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	0.929
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
179247 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/67.	4316719.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316719.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316719.cif
10225	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316719 via cif-deposit CGI script.	4316719.cif