Crystallography Open Database

Information card for entry 7710744

Preview

Coordinates	7710744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 Cl8 N P Pd
Calculated formula	C14 H22 Cl8 N P Pd
SMILES	c12ccccc1[P](CC)(CC)[Pd]([N]2(C)C)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
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	17.0385 ± 0.0007 Å
b	8.89 ± 0.0003 Å
c	32.4365 ± 0.0014 Å
α	90°
β	92.933 ± 0.002°
γ	90°
Cell volume	4906.8 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7710744.cif