Crystallography Open Database

Information card for entry 4107948

Preview

Coordinates	4107948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 Cl4 F3 N4 O5 Rh S
Calculated formula	C19 H18 Cl4 F3 N4 O5 Rh S
SMILES	C12N(C=CN1C)c1ccccc1N1C(=[Rh]=2(C#[O])C#[O])N(C=C1)C.C(F)(F)(S(=O)(=O)[O-])F.C(Cl)Cl.C(Cl)Cl
Title of publication	Diaminocarbene and Phosphonium Ylide Ligands: A Systematic Comparison of their Donor Character
Authors of publication	Yves Canac; Christine Lepetit; Mohammed Abdalilah; Carine Duhayon; Remi Chauvin
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	8406 - 8413
a	13.5516 ± 0.0005 Å
b	11.7085 ± 0.0004 Å
c	16.9923 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2696.15 ± 0.17 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for all reflections	0.064
Weighted residual factors for significantly intense reflections	0.0302
Weighted residual factors for all reflections included in the refinement	0.0302
Goodness-of-fit parameter for all reflections included in the refinement	1.1211
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.	4107948.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107948.cif
56275	2012-05-10	cif/ Adding structures of 4107948 via cif-deposit CGI script.	4107948.cif