Crystallography Open Database

Information card for entry 4075688

Preview

Coordinates	4075688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H60 Cl2 O2 P2 Pd2
Calculated formula	C59 H60 Cl1.98 O2 P2 Pd2
Title of publication	Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation
Authors of publication	Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	6
Pages of publication	1119
a	8.782 ± 0.005 Å
b	12.163 ± 0.005 Å
c	12.816 ± 0.005 Å
α	99.9 ± 0.005°
β	95.56 ± 0.005°
γ	103.68 ± 0.005°
Cell volume	1296.7 ± 1 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.1179
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for significantly intense reflections	0.257
Weighted residual factors for all reflections included in the refinement	0.2678
Goodness-of-fit parameter for all reflections included in the refinement	2.078
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.	4075688.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075688.cif
50621	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075685, 4075686, 4075687, 4075688, 4075689, 4075690, 4075691, 4075692 via cif-deposit CGI script.	4075688.cif