Crystallography Open Database

Information card for entry 4089374

Preview

Coordinates	4089374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cl2 N2 Pd
Calculated formula	C20 H20 Cl2 N2 Pd
SMILES	[Pd]1(Cl)(Cl)[n]2ccccc2[C@@H](c2ccccc2)[NH]1[C@@H](c1ccccc1)C
Title of publication	N-Heterocyclic Pyridylmethylamines: Synthesis, Complexation, Molecular Structure, and Application to Asymmetric Suzuki‒Miyaura and Oxidative Coupling Reactions
Authors of publication	Grach, Guillaume; Pieters, Grégory; Dinut, Aurelia; Terrasson, Vincent; Medimagh, Raouf; Bridoux, Alexandre; Razafimahaleo, Vanessa; Gaucher, Anne; Marque, Sylvain; Marrot, Jérôme; Prim, Damien; Gil, Richard; Planas, José Giner; Viñas, Clara; Thomas, Isabelle; Roblin, Jean-Philippe; Troin, Yves
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	15
Pages of publication	4074
a	10.1669 ± 0.0012 Å
b	11.8011 ± 0.0013 Å
c	15.7914 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1894.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0499
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
243621 (current)	2019-11-26	cif/ Adding structures of 4089373, 4089374, 4089375 via cif-deposit CGI script.	4089374.cif