Crystallography Open Database

Information card for entry 4089375

Preview

Coordinates	4089375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 Cl2 N2 Pd
Calculated formula	C15 H18 Cl2 N2 Pd
SMILES	[Pd]1(Cl)(Cl)[n]2ccccc2[C@@H]([NH]1[C@@H](c1ccccc1)C)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	9.5902 ± 0.0005 Å
b	11.5116 ± 0.0006 Å
c	14.6184 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1613.85 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0277
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0482
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.484
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.	4089375.cif