Crystallography Open Database

Information card for entry 4119213

4119212 << 4119213 >> 4119214

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Coordinates	4119213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 F2 N P Pd
Calculated formula	C24 H28 F2 N P Pd
SMILES	[Pd]12(P(C(C)(C)C)(C(C)(C)C)=Cc3ccc4cccc(c4[n]13)[F]2)c1ccc(cc1)F
Title of publication	Evidence for Metal-Ligand Cooperation in a Pd-PNF Pincer-Catalyzed Cross-Coupling
Authors of publication	Adam Scharf; Israel Goldberg; Arkadi Vigalok
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	967 - 970
a	8.3822 ± 0.0002 Å
b	11.5637 ± 0.0003 Å
c	11.5713 ± 0.0001 Å
α	92.0292 ± 0.0014°
β	98.8743 ± 0.0015°
γ	104.785 ± 0.0007°
Cell volume	1068.19 ± 0.04 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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