Crystallography Open Database

Information card for entry 4087593

Preview

Coordinates	4087593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 N2 Pd
Calculated formula	C18 H24 N2 Pd
SMILES	[Pd]12([N](Cc3c1cccc3)(C)C)[N](Cc1c2cccc1)(C)C
Title of publication	Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation
Authors of publication	Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	12
Pages of publication	3055
a	17.341 ± 0.001 Å
b	10.787 ± 0.001 Å
c	17.672 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3305.7 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236863 (current)	2019-11-24	cif/ Adding structures of 4087589, 4087590, 4087591, 4087592, 4087593, 4087594, 4087595 via cif-deposit CGI script.	4087593.cif