Crystallography Open Database

Information card for entry 4101564

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Coordinates	4101564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H74 F3 Fe N O4 P2 Pd S
Calculated formula	C50.5 H73 F3 Fe N O4 P2 Pd S
Title of publication	Palladium-catalyzed coupling of ammonia and lithium amide with aryl halides.
Authors of publication	Shen, Qilong; Hartwig, John F
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	31
Pages of publication	10028 - 10029
a	25.226 ± 0.005 Å
b	14.078 ± 0.003 Å
c	28.556 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	10141 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0907
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1519
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	No
Has F_obs	No

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