Crystallography Open Database

Information card for entry 4068717

Preview

Coordinates	4068717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15 Cl4 N5 Pd2
Calculated formula	C9 H15 Cl4 N5 Pd2
SMILES	[Pd](Cl)(=C1N(N(C(=[Pd](Cl)(Cl)[N]#CC)N1C)C)C)(Cl)[N]#CC
Title of publication	Palladium Complexes with Triazolyldiylidene. Structural Features and Catalytic Applications
Authors of publication	Zanardi, Alessandro; Mata, José A.; Peris, Eduardo
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	5
Pages of publication	1480
a	8.1284 ± 0.001 Å
b	10.132 ± 0.0012 Å
c	22.069 ± 0.003 Å
α	90°
β	94.604 ± 0.003°
γ	90°
Cell volume	1811.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0574
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
178577 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/87.	4068717.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068717.cif
39942	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068717 via cif-deposit CGI script.	4068717.cif