Crystallography Open Database

Information card for entry 4074543

Preview

Coordinates	4074543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Cl2 N2 P Pd
Calculated formula	C25 H27 Cl2 N2 P Pd
SMILES	[Pd]1(Cl)(Cl)[P](CCN2C=1N(c1c2cccc1)CCCC)(c1ccccc1)c1ccccc1
Title of publication	Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands
Authors of publication	Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	25
Pages of publication	5927
a	15.896 ± 0.003 Å
b	16.054 ± 0.003 Å
c	18.968 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4840.5 ± 1.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
178634 (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 4/07/45.	4074543.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074543.cif
48440	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074543 via cif-deposit CGI script.	4074543.cif