Crystallography Open Database

Information card for entry 4111119

Preview

Coordinates	4111119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H40 F3 N O3 P Rh S
Calculated formula	C39 H40 F3 N O3 P Rh S
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	10.2004 ± 0.0015 Å
b	13.1685 ± 0.0019 Å
c	14.655 ± 0.002 Å
α	80.935 ± 0.002°
β	71.599 ± 0.002°
γ	78.763 ± 0.002°
Cell volume	1822.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.065
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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.	4111119.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111119.cif
60643	2012-06-15	cif/ Adding structures of 4111119 via cif-deposit CGI script.	4111119.cif