Crystallography Open Database

Information card for entry 7223262

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Coordinates	7223262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cl2 N2 Pd
Calculated formula	C18 H26 Cl2 N2 Pd
SMILES	Cl[Pd]([NH2]CCCc1ccccc1)([NH2]CCCc1ccccc1)Cl
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	9.0679 ± 0.0003 Å
b	8.3144 ± 0.0003 Å
c	26.1253 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1969.69 ± 0.13 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
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	0.022
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0288
Weighted residual factors for all reflections included in the refinement	0.0302
Goodness-of-fit parameter for significantly intense reflections	1.91
Goodness-of-fit parameter for all reflections included in the refinement	1.88
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7223262.cif