Crystallography Open Database

Information card for entry 4112507

Preview

Coordinates	4112507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 Cl2 N4 Pd
Calculated formula	C42 H48 Cl2 N4 Pd
Title of publication	Structure and Reactivity of "Unusual" N-Heterocyclic Carbene (NHC) Palladium Complexes Synthesized from Imidazolium Salts
Authors of publication	Hélène Lebel; Marc K. Janes; André B. Charette; Steven P. Nolan
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5046 - 5047
a	20.8588 ± 0.0003 Å
b	20.8678 ± 0.0004 Å
c	19.0273 ± 0.0003 Å
α	90°
β	108.489 ± 0.001°
γ	90°
Cell volume	7854.7 ± 0.2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
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	0.0754
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178896 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/25.	4112507.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112507.cif
64899	2012-08-30	cif/ Adding structures of 4112507 via cif-deposit CGI script.	4112507.cif