Crystallography Open Database

Information card for entry 7116047

Preview

Coordinates	7116047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Cl2 N3 Pd
Calculated formula	C15 H13 Cl2 N3 Pd
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	10.122 ± 0.0005 Å
b	6.909 ± 0.0003 Å
c	10.959 ± 0.0005 Å
α	90 ± 0.005°
β	103.632 ± 0.002°
γ	90 ± 0.005°
Cell volume	744.8 ± 0.06 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	0.913
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.	7116047.cif
128841	2014-12-19	cif/ Adding structures of 7116047, 7116048 via cif-deposit CGI script.	7116047.cif