Crystallography Open Database

Information card for entry 7227137

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Coordinates	7227137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H40 F6 O3 P2 Pd
Calculated formula	C47 H36 F6 O3 P2 Pd
Title of publication	Synthesis and reductive elimination of arylPd(ii) trifluoromethyl complexes: a remarkable concentration effect on chemoselectivity.
Authors of publication	Zhang, Song-Lin; Deng, Zhu-Qin
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	48
Pages of publication	32664 - 32667
a	17.5019 ± 0.001 Å
b	9.8634 ± 0.0005 Å
c	25.5915 ± 0.0015 Å
α	90°
β	108.725 ± 0.002°
γ	90°
Cell volume	4184 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0874
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1743
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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