Crystallography Open Database

Information card for entry 4075653

Preview

Coordinates	4075653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H108 F12 O12 P8 Pd4 S8
Calculated formula	C116 H108 F12 O12 P8 Pd4 S8
Title of publication	Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines
Authors of publication	Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	6
Pages of publication	1204
a	15.57 ± 0.001 Å
b	9.219 ± 0.001 Å
c	20.365 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2923.2 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178645 (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 4/07/56.	4075653.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075653.cif
50602	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075651, 4075652, 4075653 via cif-deposit CGI script.	4075653.cif