Crystallography Open Database

Information card for entry 4075054

Preview

Coordinates	4075054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Cl N O3 P Pd
Calculated formula	C24 H27 Cl N O3 P Pd
SMILES	[Pd]1(Cl)([P](c2ccccc2)(CCc2[n]1cccc2)c1ccccc1)C(=O)OCC(O)CC
Title of publication	Interaction of PdCl2-2-(β-diphenylphosphine)ethylpyridine Complex with Diols and CO: Synthesis of New Alkoxycarbonyl Complexes, Key Intermediates to Cyclic Carbonates
Authors of publication	Giannoccaro, Potenzo; Cornacchia, Daniele; Doronzo, Salvatore; Mesto, Ernesto; Quaranta, Eugenio; Aresta, Michele
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	11
Pages of publication	2872
a	11.055 ± 0.001 Å
b	12.486 ± 0.001 Å
c	19.647 ± 0.001 Å
α	103.27 ± 0.01°
β	97.06 ± 0.01°
γ	89.98 ± 0.01°
Cell volume	2618.4 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.1586
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for all reflections	0.0938
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.0835
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
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.	4075054.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075054.cif
49038	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075054 via cif-deposit CGI script.	4075054.cif