Crystallography Open Database

Information card for entry 4112520

Preview

Coordinates	4112520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.5 H53 F12 Fe N O P2 Pd
Calculated formula	C67.5 H49 F12 Fe N O P2 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	13.525 ± 0.003 Å
b	15.326 ± 0.003 Å
c	15.58 ± 0.003 Å
α	73.57 ± 0.03°
β	71.97 ± 0.03°
γ	81.58 ± 0.03°
Cell volume	2939.4 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4112520.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112520.cif
64912	2012-08-30	cif/ Adding structures of 4112520 via cif-deposit CGI script.	4112520.cif