Crystallography Open Database

Information card for entry 4101840

Preview

Coordinates	4101840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H50 O2 P2 Pd Si
Calculated formula	C52 H50 O2 P2 Pd Si
Title of publication	Mechanistic Duality in Palladium-Catalyzed Cross-Coupling Reactions of Aryldimethylsilanolates. Intermediacy of an 8-Si-4 Arylpalladium(II) Silanolate
Authors of publication	Scott E. Denmark; Russell C. Smith
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	1243 - 1245
a	12.5239 ± 0.0003 Å
b	12.6398 ± 0.0004 Å
c	15.2157 ± 0.0004 Å
α	90.909 ± 0.002°
β	105.17 ± 0.001°
γ	103.595 ± 0.002°
Cell volume	2251.87 ± 0.11 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0522
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4101840.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101840.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101840.cif
24659	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101840 via cif-deposit CGI script.	4101840.cif