Crystallography Open Database

Information card for entry 4115032

Preview

Coordinates	4115032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 Br P Pd
Calculated formula	C24 H2 Br P Pd
Title of publication	Synthesis, Characterization, and Reactivity of Monomeric, Arylpalladium Halide Complexes with a Hindered Phosphine as the Only Dative Ligand
Authors of publication	James P. Stambuli; Michael Bühl; John F. Hartwig
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	9346 - 9347
a	11.2935 ± 0.0005 Å
b	18.229 ± 0.001 Å
c	12.044 ± 0.0005 Å
α	90°
β	112.187 ± 0.003°
γ	90°
Cell volume	2295.9 ± 0.19 Å³
Cell temperature	183.2 K
Ambient diffraction temperature	183.2 K
Number of distinct elements	5
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	0.0679
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for all reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0325
Goodness-of-fit parameter for all reflections	1.36
Goodness-of-fit parameter for significantly intense reflections	1.434
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
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.	4115032.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115032.cif
68418	2012-10-26	cif/ Adding structures of 4115032 via cif-deposit CGI script.	4115032.cif