Crystallography Open Database

Information card for entry 4308311

Preview

Coordinates	4308311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H70 Cl6 N8 O4 Pd2
Calculated formula	C65 H70 Cl6 N8 O4 Pd2
SMILES	[Pd]1(Cl)(Cl)[n]2n(c(cc2C)C)C(n2[n]1c(cc2C)C)Cc1cc(cc(c1)OCc1ccccc1)OCc1ccccc1.C(Cl)Cl
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	12.8582 ± 0.001 Å
b	14.4619 ± 0.0013 Å
c	19.635 ± 0.003 Å
α	97.459 ± 0.011°
β	90.026 ± 0.009°
γ	116.091 ± 0.011°
Cell volume	3244.6 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1202
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
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.	4308311.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308311.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308311.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308311.cif