Crystallography Open Database

Information card for entry 4118657

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Coordinates	4118657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C173 H240 N12 Pd4
Calculated formula	C168 H228 N12 Pd4
Title of publication	Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes
Authors of publication	Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	15281 - 15284
a	10.517 ± 0.005 Å
b	22.963 ± 0.011 Å
c	32.741 ± 0.016 Å
α	90°
β	97.774 ± 0.007°
γ	90°
Cell volume	7834 ± 7 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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