Crystallography Open Database

Information card for entry 4063546

Preview

Coordinates	4063546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H49 P3 Pd S Si
Calculated formula	C52 H49 P3 Pd S Si
SMILES	C[Si](C)(C)[C]1(P(c2ccccc2)c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]=1
Title of publication	Formation of a Palladium Thioketone Complex from a Thiophosphinoyl Stabilized Li/Cl Carbenoid
Authors of publication	Gessner, Viktoria H.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	16
Pages of publication	4228
a	11.382 ± 0.003 Å
b	13.542 ± 0.003 Å
c	15.957 ± 0.004 Å
α	79.574 ± 0.003°
β	74.649 ± 0.004°
γ	77.131 ± 0.004°
Cell volume	2292.7 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178530 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/35.	4063546.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063546.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063546.cif
24963	2011-09-08	../uploads/cif-deposit/cod/cif Adding structures of 4063546 via cif-deposit CGI script.	4063546.cif