Crystallography Open Database

Information card for entry 4074564

Preview

Coordinates	4074564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 F6 N3 Pd S Sb
Calculated formula	C30 H32 F6 N3 Pd S Sb
Title of publication	Synthesis, Structure, and Applications ofN-Dialkylamino-N‘-alkylimidazol-2-ylidenes as a New Type of NHC Ligands§
Authors of publication	Ros, Abel; Monge, David; Alcarazo, Manuel; Álvarez, Eleuterio; Lassaletta, José M.; Fernández, Rosario
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	26
Pages of publication	6039
a	11.4072 ± 0.0003 Å
b	11.7698 ± 0.0003 Å
c	23.2188 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3117.37 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0142
Residual factor for significantly intense reflections	0.0137
Weighted residual factors for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.0352
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
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.	4074564.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074564.cif
48450	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074564 via cif-deposit CGI script.	4074564.cif