Crystallography Open Database

Information card for entry 4101772

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Coordinates	4101772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 Br4 F6 P2 Pd2
Calculated formula	C38 H64 Br4 F6 P2 Pd2
Title of publication	Ligandless, Anionic, Arylpalladium Halide Intermediates in the Heck Reaction
Authors of publication	Brad P. Carrow; John. F. Hartwig
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	79 - 81
a	10.6562 ± 0.0004 Å
b	9.0426 ± 0.0004 Å
c	25.5092 ± 0.0011 Å
α	90°
β	95.246 ± 0.002°
γ	90°
Cell volume	2447.76 ± 0.18 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
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	0.092
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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