Crystallography Open Database

Information card for entry 4111016

Preview

Coordinates	4111016.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cis-Pd2(C6H4PPh2)(O2CCF3)2Cl2, 2CH2Cl2
Formula	C42 H32 Cl6 F6 O4 P2 Pd2
Calculated formula	C42 H32 Cl6 F6 O4 P2 Pd2
Title of publication	High Yield Syntheses of Stable, Singly Bonded Pd26+ Compounds
Authors of publication	F. Albert Cotton; Igor O. Koshevoy; Pascual Lahuerta; Carlos A. Murillo; Mercedes Sanaú; M. Angeles Ubeda; Qinliang Zhao
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	13674 - 13675
a	11.4873 ± 0.0009 Å
b	12.2811 ± 0.001 Å
c	17.4297 ± 0.0014 Å
α	96.894 ± 0.001°
β	91.521 ± 0.001°
γ	111.854 ± 0.001°
Cell volume	2258.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0555
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
178881 (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 4/11/10.	4111016.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111016.cif
60539	2012-06-15	cif/ Adding structures of 4111016 via cif-deposit CGI script.	4111016.cif