Crystallography Open Database

Information card for entry 4112516

Preview

Coordinates	4112516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H40 F12 N O P Pd
Calculated formula	C35 H40 F12 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	19.969 ± 0.004 Å
b	18.076 ± 0.004 Å
c	21.147 ± 0.004 Å
α	90°
β	105.17 ± 0.03°
γ	90°
Cell volume	7367 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1292
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	4112516.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112516.cif
64908	2012-08-30	cif/ Adding structures of 4112516 via cif-deposit CGI script.	4112516.cif