Crystallography Open Database

Information card for entry 4080550

Preview

Coordinates	4080550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17.5 H20 Ag Cl F3 N3 O
Calculated formula	C17.472 H19.944 Ag Cl0.944 F3 N3 O
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	8.529 ± 0.004 Å
b	10.391 ± 0.003 Å
c	12.512 ± 0.007 Å
α	91.22 ± 0.04°
β	109.88 ± 0.04°
γ	107.34 ± 0.03°
Cell volume	986.1 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.14
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.2494
Weighted residual factors for all reflections included in the refinement	0.285
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54176 Å
Diffraction radiation type	CuKα
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.	4080550.cif
85959	2013-05-07	cif/ Adding structures of 4080549, 4080550, 4080551, 4080552, 4080553, 4080554, 4080555, 4080556 via cif-deposit CGI script.	4080550.cif