Crystallography Open Database

Information card for entry 4102550

Preview

Coordinates	4102550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H34 Cl O P Pd
Calculated formula	C16 H34 Cl O P Pd
Title of publication	In Situ Generated Bulky Palladium Hydride Complexes as Catalysts for the Efficient Isomerization of Olefins. Selective Transformation of Terminal Alkenes to 2-Alkenes
Authors of publication	Delphine Gauthier; Anders T. Lindhardt; Esben P. K. Olsen; Jacob Overgaard; Troels Skrydstrup
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	7998 - 8009
a	7.8947 ± 0.0002 Å
b	29.6787 ± 0.0007 Å
c	8.5746 ± 0.0002 Å
α	90°
β	105.441 ± 0.001°
γ	90°
Cell volume	1936.55 ± 0.08 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	6
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	0.0455
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
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
178771 (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 4/10/25.	4102550.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102550.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102550.cif
25431	2011-09-11	../uploads/cif-deposit/cod/cif Adding structures of 4102550 via cif-deposit CGI script.	4102550.cif