Crystallography Open Database

Information card for entry 4111017

Preview

Coordinates	4111017.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cis-Pd2(C6H4PPh2)(O2CCMe3)2Cl2
Formula	C46 H46 Cl2 O4 P2 Pd2
Calculated formula	C46 H46 Cl2 O4 P2 Pd2
SMILES	C1(C(C)(C)C)=[O][Pd]234(c5c([P](c6ccccc6)(c6ccccc6)[Pd]4(O1)([O]=C(C(C)(C)C)O2)(c1c([P]3(c2ccccc2)c2ccccc2)cccc1)Cl)cccc5)Cl
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	11.711 ± 0.0003 Å
b	17.195 ± 0.0004 Å
c	21.146 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4258.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b n a
Hall space group symbol	-P 2ac 2b
Residual factor for all reflections	0.1017
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
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.	4111017.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111017.cif
60540	2012-06-15	cif/ Adding structures of 4111017 via cif-deposit CGI script.	4111017.cif