Crystallography Open Database

Information card for entry 4103322

Preview

Coordinates	4103322.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pd-complex
Chemical name	Pd-complex
Formula	C26 H25 N3 O7 Pd
Calculated formula	C23 H18 N3 O4 Pd
SMILES	[Pd]1234(OC(O)(c5cccc[n]15)c1cccc[n]21)OC(O)(c1ccccc31)c1cccc[n]41
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	15.4911 ± 0.0007 Å
b	8.1017 ± 0.0004 Å
c	23.2701 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2920.5 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0444
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	4103322.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103322.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103322.cif
26303	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103322 via cif-deposit CGI script.	4103322.cif