Crystallography Open Database

Information card for entry 8000135

Preview

Coordinates	8000135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 F12 O8 Pd2
Calculated formula	C20 H14 F12 O8 Pd2
SMILES	[Pd]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)[O]=C(C)[C@@]1([Pd]3(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=C([C@]21C(=O)C)C)C(=O)C.[Pd]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)[O]=C(C)[C@]1([Pd]3(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=C([C@@]21C(=O)C)C)C(=O)C
Title of publication	Observation of the New κ2C,O:κ2C′,O′ Coordination Mode of 1,1,2,2-Tetraacetylethanato Ligand in a Dinuclear 1,1,1,5,5,5-Hexafluoroacetylacetonato Palladium(II) Complex
Authors of publication	Fukuda, Yutaka; Sakumoto, Maiko; Tanabe, Yoshiaki; Ishii, Youichi; Suzuki, Wakako; Nakao, Akiko
Journal of publication	Chemistry Letters
Year of publication	2006
Journal volume	35
Journal issue	8
Pages of publication	936
a	10.88 ± 0.02 Å
b	11.03 ± 0.03 Å
c	21.97 ± 0.07 Å
α	90°
β	101.98 ± 0.05°
γ	90°
Cell volume	2579 ± 12 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000135.cif
94283	2014-01-22	cif/ Adding structures of 8000135 via cif-deposit CGI script.	8000135.cif