Crystallography Open Database

Information card for entry 7004076

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Coordinates	7004076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H8 F10 N2 Pd
Calculated formula	C22 H8 F10 N2 Pd
SMILES	[Pd]1([n]2c(c3[n]1cccc3)cccc2)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Reductive elimination of C6F5‒C6F5 in the reaction of bis(pentafluorophenyl)palladium(ii) complexes with protic acids
Authors of publication	Koizumi, Take-aki; Yamazaki, Atsuko; Yamamoto, Takakazu
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	30
Pages of publication	3949 - 3952
a	13.467 ± 0.004 Å
b	7.171 ± 0.002 Å
c	25.072 ± 0.008 Å
α	90°
β	90.413 ± 0.002°
γ	90°
Cell volume	2421.2 ± 1.3 Å³
Cell temperature	293.1 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 significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.733
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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