Crystallography Open Database

Information card for entry 4106465

Preview

Coordinates	4106465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H83 N2 P3 Pb Pd
Calculated formula	C82 H67 N2 P3 Pb Pd
Title of publication	Palladium and Platinum Complexes of a Benzannulated N-Heterocyclic Plumbylene with an Unusual Bonding Mode
Authors of publication	Dennis Heitmann; Tania Pape; Alexander Hepp; Christian Mück-Lichtenfeld; Stefan Grimme; F. Ekkehardt Hahn
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	11118 - 11120
a	13.4081 ± 0.0005 Å
b	13.6329 ± 0.0006 Å
c	19.9252 ± 0.0008 Å
α	79.247 ± 0.001°
β	81.738 ± 0.001°
γ	84.019 ± 0.001°
Cell volume	3529.8 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0501
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
178810 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/64.	4106465.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106465.cif
53265	2012-04-18	cif/ Adding structures of 4106465 via cif-deposit CGI script.	4106465.cif