Crystallography Open Database

Information card for entry 4118658

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Coordinates	4118658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H63 Cl N2 Pd
Calculated formula	C35 H51 Cl N2 Pd
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	9.7615 ± 0.0003 Å
b	13.4772 ± 0.0005 Å
c	29.0572 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3822.7 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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