Crystallography Open Database

Information card for entry 4104045

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Coordinates	4104045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H65 F4 N4 Pd2
Calculated formula	C57 H65 F4 N4 Pd2
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	17.9592 ± 0.0012 Å
b	17.5332 ± 0.0012 Å
c	20.295 ± 0.0014 Å
α	90°
β	95.135 ± 0.001°
γ	90°
Cell volume	6364.9 ± 0.8 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	I 1 a 1
Hall space group symbol	I -2ya
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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