Crystallography Open Database

Information card for entry 7710742

Preview

Coordinates	7710742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Br2 N Ni P
Calculated formula	C12 H20 Br2 N Ni P
SMILES	c12ccccc1[P](CC)(CC)[Ni]([N]2(C)C)(Br)Br
Title of publication	A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.
Authors of publication	Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	7.276 ± 0.0003 Å
b	8.6431 ± 0.0003 Å
c	13.5955 ± 0.0005 Å
α	83.197 ± 0.001°
β	84.014 ± 0.001°
γ	71.177 ± 0.001°
Cell volume	801.57 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0203
Residual factor for significantly intense reflections	0.0182
Weighted residual factors for significantly intense reflections	0.0362
Weighted residual factors for all reflections included in the refinement	0.0376
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
276837 (current)	2022-07-23	cif/ Adding structures of 7710741, 7710742, 7710743, 7710744, 7710745, 7710746 via cif-deposit CGI script.	7710742.cif