Crystallography Open Database

Information card for entry 7028880

Preview

Coordinates	7028880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H34 Cl2 O2 P2 Pd S2
Calculated formula	C35 H34 Cl2 O2 P2 Pd S2
Title of publication	Oxidative addition chemistry of tetrathiocines: synthesis, structures and properties of group 10 dithiolate complexes.
Authors of publication	Wrixon, Justin D.; Hayward, John J.; Raza, Osman; Rawson, Jeremy M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2134 - 2139
a	20.866 ± 0.0021 Å
b	20.866 ± 0.0021 Å
c	15.5435 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	6767.5 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179994 (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 7/02/88.	7028880.cif
105453	2014-03-12	cif/ Adding structures of 7028879, 7028880, 7028881 via cif-deposit CGI script.	7028880.cif