Crystallography Open Database

Information card for entry 4309459

Preview

Coordinates	4309459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cl2 N4 O2 Pd2
Calculated formula	C18 H22 Cl2 N4 O2 Pd2
SMILES	c12ccccc2[Pd]([N]2=[N]1[Pd](c1ccccc21)([O]=CN(C)C)Cl)([O]=CN(C)C)Cl
Title of publication	Simple Route to the Doublyortho-Palladated Azobenzenes: Building Blocks for Organometallic Polymers and Metallomesogens
Authors of publication	Manda Ćurić; Darko Babić; Aleksandar Višnjevac; Krešimir Molčanov
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5975 - 5977
a	12.77 ± 0.001 Å
b	5.2796 ± 0.0006 Å
c	15.419 ± 0.0008 Å
α	90°
β	92.46 ± 0.01°
γ	90°
Cell volume	1038.6 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54179 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179132 (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 4/30/94.	4309459.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309459.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309459.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309459.cif