Crystallography Open Database

Information card for entry 4121529

Preview

Coordinates	4121529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H33 F5 Ni P2
Calculated formula	C20 H33 F5 Ni P2
Title of publication	On the catalytic hydrodefluorination of fluoroaromatics using nickel complexes: the true role of the phosphine.
Authors of publication	Arévalo, Alma; Tlahuext-Aca, Adrian; Flores-Alamo, Marcos; García, Juventino J
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	12
Pages of publication	4634 - 4639
a	7.5958 ± 0.0006 Å
b	8.2688 ± 0.0009 Å
c	9.8593 ± 0.0009 Å
α	74.385 ± 0.009°
β	72.833 ± 0.008°
γ	83.76 ± 0.008°
Cell volume	569.53 ± 0.1 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1639
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179017 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/15.	4121529.cif
108221	2014-03-29	cif/ Adding structures of 4121528, 4121529 via cif-deposit CGI script.	4121529.cif