Crystallography Open Database

Information card for entry 4079704

Preview

Coordinates	4079704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 O9 P2 Pd S2
Calculated formula	C35.984 H35.968 O9 P2 Pd S2
Title of publication	Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts
Authors of publication	R Thomas; Tritschler, Ulrich; Roesle, Philipp; Göttker-Schnetmann, Inigo; Müller, Heiko M.; Caporaso, Lucia; Poater, Albert; Cavallo, Luigi; Mecking, Stefan
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	23
Pages of publication	8388
a	18.1536 ± 0.0014 Å
b	11.6821 ± 0.0006 Å
c	34.931 ± 0.003 Å
α	90°
β	99.484 ± 0.006°
γ	90°
Cell volume	7306.6 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1543
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	0.878
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
178686 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/97.	4079704.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4079704.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079704.cif
72532	2013-01-21	cif/ Adding structures of 4079702, 4079703, 4079704, 4079705 via cif-deposit CGI script.	4079704.cif