Crystallography Open Database

Information card for entry 4065695

Preview

Coordinates	4065695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 Cl N3 O3 Pd
Calculated formula	C21 H32 Cl N3 O3 Pd
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	17.7339 ± 0.0013 Å
b	16.8224 ± 0.0012 Å
c	16.5342 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4932.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4065695.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065695.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065695.cif
33658	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065693, 4065694, 4065695, 4065696, 4065697 via cif-deposit CGI script.	4065695.cif