Crystallography Open Database

Information card for entry 7116048

Preview

Coordinates	7116048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Ag N3 O3 S
Calculated formula	C16 H16 Ag N3 O3 S
Title of publication	Chelation assistance as a tool for the selective preparation of an imidazole-based mesoionic palladium carbene complex
Authors of publication	Arturo Juzgado; M. Mercedes Lorenzo-Garcia; Myriam Barrejon; Ana M. Rodriguez; Julian Rodriguez-Lopez; Sonia Merino; Juan Tejeda
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15313
a	20.793 ± 0.007 Å
b	11.193 ± 0.003 Å
c	14.632 ± 0.004 Å
α	90°
β	92.944 ± 0.008°
γ	90°
Cell volume	3400.9 ± 1.7 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 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	0.1148
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
180274 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116048.cif
128841	2014-12-19	cif/ Adding structures of 7116047, 7116048 via cif-deposit CGI script.	7116048.cif