Crystallography Open Database

Information card for entry 4080549

Preview

Coordinates	4080549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Ag2 F6 N6 O2
Calculated formula	C28 H26 Ag2 F6 N6 O2
SMILES	C(=O)(C(F)(F)F)N1[Ag]2=C3N(C=CN3N(C(=O)C(F)(F)F)[Ag]2=C2N(C=CN12)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity
Authors of publication	Guernon, Hannah; Legault, Claude Y.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	6
Pages of publication	1988
a	18.907 ± 0.008 Å
b	10.975 ± 0.003 Å
c	15.506 ± 0.004 Å
α	90°
β	103.24 ± 0.03°
γ	90°
Cell volume	3132 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
178694 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/05.	4080549.cif
85959	2013-05-07	cif/ Adding structures of 4080549, 4080550, 4080551, 4080552, 4080553, 4080554, 4080555, 4080556 via cif-deposit CGI script.	4080549.cif