Crystallography Open Database

Information card for entry 4072206

Preview

Coordinates	4072206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cl2 N3 Pd
Calculated formula	C36 H42 Cl2 N3 Pd
Title of publication	N-Heterocyclic Carbenes (NHCs) ContainingN-C-Palladacycle Complexes: Synthesis and Reactivity in Aryl Amination Reactions
Authors of publication	Broggi, Julie; Clavier, Hervé; Nolan, Steven P.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	21
Pages of publication	5525
a	13.6779 ± 0.0006 Å
b	14.7453 ± 0.0006 Å
c	32.7016 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6595.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178611 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/22.	4072206.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072206.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072206.cif
44291	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072206 via cif-deposit CGI script.	4072206.cif