Crystallography Open Database

Information card for entry 4118344

Preview

Coordinates	4118344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 Cl2 F6 N2 O10 Pd2
Calculated formula	C37 H34 Cl2 F6 N2 O10 Pd2
SMILES	ClCCl.[Pd]1(OC(=O)C)([OH2])(OC(=O)C)([n]2cccc3ccc4cccc1c4c23)C(F)(F)F
Title of publication	Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage
Authors of publication	David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12002 - 12009
a	10.0855 ± 0.0011 Å
b	14.4631 ± 0.0015 Å
c	14.9794 ± 0.0016 Å
α	81.313 ± 0.002°
β	73.034 ± 0.001°
γ	70.432 ± 0.002°
Cell volume	1965.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
178954 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/83.	4118344.cif
75869	2013-03-13	cif/ Adding structures of 4118344 via cif-deposit CGI script.	4118344.cif