Crystallography Open Database

Information card for entry 4115034

Preview

Coordinates	4115034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H53 N P2 Pd
Calculated formula	C55 H53 N P2 Pd
Title of publication	Synthesis, Characterization, and Reactivity of Arylpalladium Cyanoalkyl Complexes: Selection of Catalysts for the α-Arylation of Nitriles
Authors of publication	Darcy A. Culkin; John F. Hartwig
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	9330 - 9331
a	15.452 ± 0.001 Å
b	16.887 ± 0.001 Å
c	10.5491 ± 0.0003 Å
α	104.686 ± 0.002°
β	108.412 ± 0.001°
γ	62.816 ± 0.001°
Cell volume	2303.7 ± 0.2 Å³
Cell temperature	183.2 K
Ambient diffraction temperature	183.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0409
Goodness-of-fit parameter for significantly intense reflections	1.996
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4115034.html