Crystallography Open Database

Information card for entry 4081430

Preview

Coordinates	4081430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H39 Cl2 N Ni P2
Calculated formula	C17 H39 Cl2 N Ni P2
Title of publication	Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole
Authors of publication	Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	18
Pages of publication	5153
a	14.166 ± 0.006 Å
b	15.512 ± 0.006 Å
c	9.989 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2195 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178703 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/14.	4081430.cif
89233	2013-10-09	cif/ Adding structures of 4081429, 4081430, 4081431, 4081432, 4081433, 4081434, 4081435, 4081436, 4081437, 4081438, 4081439, 4081440, 4081441, 4081442 via cif-deposit CGI script.	4081430.cif