Crystallography Open Database

Information card for entry 4345690

Preview

Coordinates	4345690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H35 Cl2 F12 P3 Pd Sn
Calculated formula	C56 H35 Cl2 F12 P3 Pd Sn
SMILES	[Pd]12([Sn](c3c([P]1(c1ccccc1)c1ccccc1)c(F)c(F)c(F)c3F)(c1c([P]2(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F)C)c1c([P](c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F.C(Cl)Cl
Title of publication	Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition
Authors of publication	Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.
Journal of publication	Inorganic Chemistry
Year of publication	2017
a	13.7596 ± 0.0008 Å
b	16.9479 ± 0.001 Å
c	22.1692 ± 0.0012 Å
α	90°
β	92.87 ± 0.001°
γ	90°
Cell volume	5163.3 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195422 (current)	2017-04-14	cif/ Adding structures of 4345686, 4345687, 4345688, 4345689, 4345690, 4345691, 4345692, 4345693, 4345694, 4345695, 4345696 via cif-deposit CGI script.	4345690.cif