Crystallography Open Database

Information card for entry 7710743

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Coordinates	7710743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 Cl2 N2 O2 P2 Pd
Calculated formula	C24 H44 Cl2 N2 O2 P2 Pd
SMILES	c12ccccc1[P](CC)(CC)[Pd]([N]2(C)C)([P](c1ccccc1N(C)C)(CC)CC)Cl.[Cl-].O.O
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	13.1872 ± 0.0004 Å
b	11.4097 ± 0.0003 Å
c	38.4881 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	5791 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	7710743.cif