Crystallography Open Database

Information card for entry 4111122

Preview

Coordinates	4111122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H56 F6 N2 O6 P2 Pd2 S2
Calculated formula	C68 H56 F6 N2 O6 P2 Pd2 S2
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	13.0253 ± 0.0004 Å
b	14.6703 ± 0.0005 Å
c	17.4565 ± 0.0006 Å
α	98.194 ± 0.002°
β	94.66 ± 0.002°
γ	100.156 ± 0.002°
Cell volume	3230.46 ± 0.19 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4111122.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111122.cif
60646	2012-06-15	cif/ Adding structures of 4111122 via cif-deposit CGI script.	4111122.cif