Crystallography Open Database

Information card for entry 4081429

Preview

Coordinates	4081429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H37 Cl4 N Ni P2
Calculated formula	C16 H37 Cl4 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	11.4524 ± 0.00007 Å
b	14.56303 ± 0.00008 Å
c	7.24125 ± 0.00004 Å
α	90°
β	104.109 ± 0.0006°
γ	90°
Cell volume	1171.28 ± 0.012 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110 ± 1 K
Number of distinct elements	6
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0148
Residual factor for significantly intense reflections	0.0147
Weighted residual factors for significantly intense reflections	0.0367
Weighted residual factors for all reflections included in the refinement	0.0367
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4081429.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.	4081429.cif