Crystallography Open Database

Information card for entry 4102398

Preview

Coordinates	4102398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H68 N2 P2 Pd2
Calculated formula	C54 H68 N2 P2 Pd2
Title of publication	Intermolecular Insertion of Ethylene and Octene into a Palladium-Amide Bond. Spectroscopic Evidence for an Ethylene Amido Intermediate
Authors of publication	Patrick S. Hanley; Dean Marković; John F. Hartwig
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	6302 - 6303
a	13.9745 ± 0.0008 Å
b	18.6987 ± 0.0011 Å
c	20.417 ± 0.0012 Å
α	90°
β	102.129 ± 0.004°
γ	90°
Cell volume	5216 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
178769 (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 4/10/23.	4102398.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102398.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102398.cif
25263	2011-09-09	../uploads/cif-deposit/cod/cif Adding structures of 4102398 via cif-deposit CGI script.	4102398.cif