Crystallography Open Database

Information card for entry 4308310

Preview

Coordinates	4308310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 Cl4 N4 Pd
Calculated formula	C19 H24 Cl4 N4 Pd
SMILES	[Pd]1(Cl)(Cl)[n]2n(c(cc2C)C)C(n2[n]1c(cc2C)C)Cc1ccccc1.ClCCl
Title of publication	Crystal Structures of Poly(aryl ether) Dendrons with Palladium Scorpionate Complexes at Their Focal Point
Authors of publication	Alberto Sánchez-Méndez; Ernesto de Jesús; Juan C. Flores; Pilar Gómez-Sal
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4793 - 4795
a	9.962 ± 0.005 Å
b	16.841 ± 0.005 Å
c	13.62 ± 0.005 Å
α	90 ± 0.005°
β	91.447 ± 0.005°
γ	90 ± 0.005°
Cell volume	2284.3 ± 1.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.094
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.2011
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
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
179121 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/83.	4308310.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308310.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308310.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308310.cif