Crystallography Open Database

Information card for entry 4112519

Preview

Coordinates	4112519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 F12 N P Pd S
Calculated formula	C31 H35 F12 N P Pd S1.4
Title of publication	Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes
Authors of publication	Makoto Yamashita; John F. Hartwig
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5344 - 5345
a	12.301 ± 0.003 Å
b	12.824 ± 0.003 Å
c	14.038 ± 0.003 Å
α	63.3 ± 0.03°
β	67.09 ± 0.03°
γ	71.43 ± 0.03°
Cell volume	1794.3 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
178896 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/25.	4112519.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112519.cif
64911	2012-08-30	cif/ Adding structures of 4112519 via cif-deposit CGI script.	4112519.cif