Crystallography Open Database

Information card for entry 4065696

Preview

Coordinates	4065696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 Cl N2 O3 Pd
Calculated formula	C20 H23 Cl N2 O3 Pd
SMILES	[Pd]1(Cl)(C#[N]c2c(cccc2C)C)CC(=O)c2[n]1c(ccc2)C(OC)(C)OC
Title of publication	Organometallic Complexes of Palladium(II) Derived from 2,6-Diacetylpyridine Dimethylketal
Authors of publication	Vicente, José; Arcas, Aurelia; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	14
Pages of publication	3066
a	8.9235 ± 0.0008 Å
b	13.3711 ± 0.0009 Å
c	17.1832 ± 0.0009 Å
α	90°
β	104.841 ± 0.002°
γ	90°
Cell volume	1981.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0208
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0527
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178549 (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 4/06/56.	4065696.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065696.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065696.cif
33658	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065693, 4065694, 4065695, 4065696, 4065697 via cif-deposit CGI script.	4065696.cif