Crystallography Open Database

Information card for entry 7223261

Preview

Coordinates	7223261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 N2 O4 Pd
Calculated formula	C22 H32 N2 O4 Pd
SMILES	[Pd](OC(=O)C)(OC(=O)C)([NH2]CCCc1ccccc1)[NH2]CCCc1ccccc1
Title of publication	Palladium complexes with 3-phenylpropylamine ligand: synthesis, structures, theoretical studies and application in the aerobic oxidation of alcohols as a heterogeneous catalyst
Authors of publication	karami, kazem; Haghighat Naeini, Nasrin; Eigner, Václav; Dušek, Michal; Lipkowski, Janusz; Hervés, Pablo; Tavakol, Hossein
Journal of publication	RSC Adv.
Year of publication	2015
a	10.635 ± 0.0014 Å
b	6.838 ± 0.0007 Å
c	33.586 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2442.4 ± 0.5 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
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	0.0979
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
170314 (current)	2015-11-14	cif/ Adding structures of 7223261, 7223262 via cif-deposit CGI script.	7223261.cif