Crystallography Open Database

Information card for entry 4080940

Preview

Coordinates	4080940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H81 F4 P2 Pd
Calculated formula	C53 H81 F4 P2 Pd
Title of publication	Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition
Authors of publication	Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	13
Pages of publication	3631
a	9.5719 ± 0.001 Å
b	11.2741 ± 0.0012 Å
c	23.046 ± 0.002 Å
α	87.796 ± 0.003°
β	88.292 ± 0.004°
γ	89.9 ± 0.004°
Cell volume	2484.1 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4080940.cif
87957	2013-08-27	cif/ Adding structures of 4080940, 4080941, 4080942, 4080943, 4080944, 4080945, 4080946, 4080947, 4080948 via cif-deposit CGI script.	4080940.cif