Crystallography Open Database

Information card for entry 4110537

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Coordinates	4110537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H31 F3 P2 Pd
Calculated formula	C34 H31 F3 P2 Pd
SMILES	[Pd]1([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C(F)(F)F)c1ccccc1
Title of publication	Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls
Authors of publication	Vladimir V. Grushin; William J. Marshall
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	4632 - 4641
a	11.265 ± 0.004 Å
b	22.727 ± 0.009 Å
c	13.333 ± 0.005 Å
α	90°
β	111.946 ± 0.007°
γ	90°
Cell volume	3166 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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