Crystallography Open Database

Information card for entry 4075202

Preview

Coordinates	4075202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H27 Cl F24 O P2 Pd
Calculated formula	C47 H27 Cl F24 O P2 Pd
Title of publication	Electronic Effect of Diphosphines on the Regioselectivity of the Palladium-Catalyzed Hydroesterification of Styrene
Authors of publication	Guiu, Ester; Caporali, Maria; Muñoz, Bianca; Müller, Christian; Lutz, Martin; Spek, Anthony L.; Claver, Carmen; van Leeuwen, Piet W. N. M.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	13
Pages of publication	3102
a	10.27233 ± 0.0001 Å
b	17.92498 ± 0.00009 Å
c	29.46355 ± 0.00019 Å
α	90°
β	90°
γ	90°
Cell volume	5425.16 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
178641 (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 4/07/52.	4075202.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075202.cif
49117	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075202 via cif-deposit CGI script.	4075202.cif