Crystallography Open Database

Information card for entry 4118656

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Coordinates	4118656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H116 Cl2 N4 Pd2
Calculated formula	C70 H98 Cl2 N4 Pd2
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	11.7161 ± 0.0005 Å
b	14.8135 ± 0.0006 Å
c	23.0484 ± 0.0013 Å
α	102.478 ± 0.003°
β	92.417 ± 0.003°
γ	109.701 ± 0.002°
Cell volume	3648.2 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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 all reflections	0.0679
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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