Crystallography Open Database

Information card for entry 4112518

Preview

Coordinates	4112518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H60 F12 Fe N O P Pd
Calculated formula	C71 H60 F12 Fe N O P Pd
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	14.979 ± 0.003 Å
b	17.638 ± 0.004 Å
c	24.486 ± 0.005 Å
α	90°
β	103.7 ± 0.03°
γ	90°
Cell volume	6285 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.1332
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	4112518.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112518.cif
64910	2012-08-30	cif/ Adding structures of 4112518 via cif-deposit CGI script.	4112518.cif