Crystallography Open Database

Information card for entry 4078848

Preview

Coordinates	4078848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 I3 N9 Pd
Calculated formula	C22 H31 I3 N6 Pd
Title of publication	Unsymmetrical Dicarbenes Based onN-Heterocyclic/Mesoionic Carbene Frameworks: A Stepwise Metalation Strategy for the Generation of a Dicarbene-Bridged Mixed-Metal Pd/Rh Complex
Authors of publication	Zamora, Matthew T.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	15
Pages of publication	5463
a	30.695 ± 0.019 Å
b	17.496 ± 0.011 Å
c	15.149 ± 0.009 Å
α	90°
β	119.53 ± 0.007°
γ	90°
Cell volume	7079 ± 8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1091
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2186
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178677 (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 4/07/88.	4078848.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078848.cif
66412	2012-09-09	cif/ Adding structures of 4078846, 4078847, 4078848, 4078849 via cif-deposit CGI script.	4078848.cif