Crystallography Open Database

Information card for entry 4115723

Preview

Coordinates	4115723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.67 H41.67 Cl2 F6 P3 Pd S6
Calculated formula	C52.667 H41.667 Cl2.001 F6 P3 Pd S6
Title of publication	Electropolymerization of Pd(II) Complexes Containing Phosphinoterthiophene Ligands
Authors of publication	Olivier Clot; Michael O. Wolf; Brian O. Patrick
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	9963 - 9973
a	10.77 ± 0.001 Å
b	13.788 ± 0.001 Å
c	21.289 ± 0.004 Å
α	99.693 ± 0.005°
β	94.388 ± 0.005°
γ	112.405 ± 0.005°
Cell volume	2846.4 ± 0.6 Å³
Cell temperature	198.2 K
Ambient diffraction temperature	198.2 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	0.1362
Residual factor for significantly intense reflections	0.06
Weighted residual factors for all reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections	1.22
Goodness-of-fit parameter for all reflections included in the refinement	1.22
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115723.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115723.cif
69445	2012-12-14	cif/ Adding structures of 4115723 via cif-deposit CGI script.	4115723.cif