Crystallography Open Database

Information card for entry 4063454

Preview

Coordinates	4063454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H28 F3 N2 O8.5 Pd S
Calculated formula	C27.5 H25 F3 N2 O8.5 Pd S
Title of publication	Carbopalladation of Maleate and Fumarate Esters and 1,1-Dimethylallene with Ortho-Substituted Aryl Palladium Complexes
Authors of publication	Vicente, José; Abad, José Antonio; López-Sáez, María-José; Jones, Peter G.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	2
Pages of publication	409
a	9.362 ± 0.0008 Å
b	11.3529 ± 0.0011 Å
c	14.6379 ± 0.0014 Å
α	99.933 ± 0.004°
β	90.461 ± 0.004°
γ	109.265 ± 0.004°
Cell volume	1443.1 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0518
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
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.	4063454.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063454.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063454.cif
19492	2011-05-11	../uploads/cif-deposit/cod/cif Adding structures of 4063453, 4063454, 4063455, 4063456 via cif-deposit CGI script.	4063454.cif