Crystallography Open Database

Information card for entry 4071712

Preview

Coordinates	4071712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 Cl N2 O Pd
Calculated formula	C13 H15 Cl N2 O Pd
SMILES	[Pd](Cl)(CC(=O)C)([n]1ccccc1)[n]1ccccc1
Title of publication	New Acetonyl Palladium(II) Complexes
Authors of publication	Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3978
a	8.2358 ± 0.0006 Å
b	8.817 ± 0.002 Å
c	10.974 ± 0.002 Å
α	73.534 ± 0.005°
β	87.561 ± 0.005°
γ	63.968 ± 0.005°
Cell volume	683.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0173
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0425
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
178606 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17.	4071712.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071712.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071712.cif
43990	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071712 via cif-deposit CGI script.	4071712.cif