Crystallography Open Database

Information card for entry 4104805

Preview

Coordinates	4104805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N2 O4 Pd
Calculated formula	C32 H28 N2 O4 Pd
Title of publication	Detailed Study of C-O and C-C Bond-Forming Reductive Elimination from Stable C2N2O2-Ligated Palladium(IV) Complexes
Authors of publication	Joy M. Racowski; Allison R. Dick; Melanie S. Sanford
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	10974 - 10983
a	12.0071 ± 0.001 Å
b	13.9633 ± 0.0011 Å
c	15.6648 ± 0.0013 Å
α	90°
β	101.654 ± 0.001°
γ	90°
Cell volume	2572.2 ± 0.4 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
178794 (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 4/10/48.	4104805.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104805.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104805.cif
29835	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104805 via cif-deposit CGI script.	4104805.cif