Crystallography Open Database

Information card for entry 4073563

Preview

Coordinates	4073563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H62 Cl4 F2 P2 Pd2
Calculated formula	C58 H62 Cl4 F2 P2 Pd2
SMILES	c1(ccc(cc1)C)[Pd]1([F][Pd]([F]1)(c1ccc(cc1)C)[P](c1ccccc1C)(c1ccccc1C)c1c(cccc1)C)[P](c1ccccc1C)(c1ccccc1C)c1c(cccc1)C.C(Cl)Cl.C(Cl)Cl
Title of publication	Ar−F Reductive Elimination from Palladium(II) Revisited†
Authors of publication	Grushin, Vladimir V.; Marshall, William J.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	20
Pages of publication	4997
a	29.772 ± 0.009 Å
b	13.907 ± 0.004 Å
c	17.997 ± 0.006 Å
α	90°
β	124.594 ± 0.005°
γ	90°
Cell volume	6134 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
178624 (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 4/07/35.	4073563.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073563.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073563.cif
46422	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073563 via cif-deposit CGI script.	4073563.cif