Crystallography Open Database

Information card for entry 4103323

Preview

Coordinates	4103323.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pd-complex acetate
Chemical name	Pd-complex acetate, acetone
Formula	C27.775 H28.55 N3 O5.925 Pd
Calculated formula	C25 H23 N3 O5 Pd
Title of publication	Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)
Authors of publication	Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14400 - 14402
a	13.097 ± 0.0016 Å
b	17.566 ± 0.002 Å
c	13.4039 ± 0.0016 Å
α	90°
β	107.34 ± 0.002°
γ	90°
Cell volume	2943.6 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0404
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
178779 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/33.	4103323.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103323.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103323.cif
26304	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103323 via cif-deposit CGI script.	4103323.cif