Crystallography Open Database

Information card for entry 4111120

Preview

Coordinates	4111120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H33 Cl2 N4 P Pd
Calculated formula	C13 H33 Cl2 N4 P Pd
SMILES	[Pd](=CN(C(C)C)C(C)C)([P](N(C)C)(N(C)C)N(C)C)(Cl)Cl
Title of publication	Cyclic C-Amino Phosphorus Ylides as a Source of Bidentate Heteroditopic Ligands (Phosphine/Aminocarbene) for Transition Metals
Authors of publication	Joan Vignolle; Bruno Donnadieu; Didier Bourissou; Michèle Soleilhavoup; Guy Bertrand
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	14810 - 14811
a	17.7471 ± 0.0012 Å
b	8.8609 ± 0.0006 Å
c	13.0417 ± 0.0009 Å
α	90°
β	108.767 ± 0.003°
γ	90°
Cell volume	1941.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0453
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178882 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/11.	4111120.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111120.cif
60644	2012-06-15	cif/ Adding structures of 4111120 via cif-deposit CGI script.	4111120.cif