Crystallography Open Database

Information card for entry 4104046

Preview

Coordinates	4104046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H41 F5 N2 O2 Pd
Calculated formula	C30 H41 F5 N2 O2 Pd
SMILES	[Pd]1(F)(F)(F)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)c1ccc(F)cc1.F.O=C(C)C.C(=O)(C)C
Title of publication	Synthesis and Reactivity of a Mono-σ-Aryl Palladium(IV) Fluoride Complex
Authors of publication	Nicholas D. Ball; Melanie S. Sanford
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3796 - 3797
a	9.6894 ± 0.0007 Å
b	12.7681 ± 0.0009 Å
c	13.8914 ± 0.001 Å
α	73.672 ± 0.001°
β	77.18 ± 0.001°
γ	69.587 ± 0.001°
Cell volume	1530.97 ± 0.19 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 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	0.0526
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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