Crystallography Open Database

Information card for entry 1504806

Preview

Coordinates	1504806.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	IMes-Pd(dmba)Cl
Chemical name	(chloro (1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene) (k2-N,C-dimethylbenzylamine)palladium (II)
Formula	C30 H36.5 Cl N3 O0.25 Pd
Calculated formula	C30 H36.5 Cl N3 O0.25 Pd
Title of publication	Practical Heck-Mizoroki coupling protocol for challenging substrates mediated by an N-heterocyclic carbene-ligated palladacycle.
Authors of publication	Kantchev, Eric Assen B.; Peh, Guang-Rong; Zhang, Chi; Ying, Jackie Y.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	18
Pages of publication	3949 - 3952
a	13.5773 ± 0.0006 Å
b	13.5923 ± 0.0006 Å
c	15.9863 ± 0.0007 Å
α	87.224 ± 0.001°
β	71.872 ± 0.001°
γ	84.466 ± 0.001°
Cell volume	2790.2 ± 0.2 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504806.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504806.cif
42380	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504806 via cif-deposit CGI script.	1504806.cif