Crystallography Open Database

Information card for entry 7020732

7020731 << 7020732 >> 7020733

Preview

Coordinates	7020732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 Cl4 F12 O12 Pd6
Calculated formula	C32 H44 Cl4 F12 O12 Pd6
Title of publication	Palladium ketonyl carboxylate complexes - potential models of polynuclear intermediates in olefin oxidation: formation and X-ray structure of Pd(6)(μ-Cl)(2+x)(μ-CF(3)CO(2))(4)(μ,κ(2)-CH(2)C(O)CMe(3))(6-x) (x = 0, 2).
Authors of publication	Shishilov, Oleg N.; Podobedov, Roman E.; Rezinkova, Yaroslavna N.; Churakov, Andrei V.; Efimenko, Inessa A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	5
Pages of publication	1338 - 1341
a	9.1569 ± 0.0014 Å
b	14.474 ± 0.002 Å
c	19.072 ± 0.003 Å
α	90°
β	95.5 ± 0.002°
γ	90°
Cell volume	2516.1 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179912 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/07.	7020732.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020732.cif
73653	2013-02-20	cif/ Adding structures of 7020731, 7020732 via cif-deposit CGI script.	7020732.cif