Crystallography Open Database

Information card for entry 4071897

Preview

Coordinates	4071897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H62 Cl N2 P Pd
Calculated formula	C48 H62 Cl N2 P Pd
Title of publication	Alkylpalladium N-Heterocyclic Carbene Complexes: Synthesis, Reactivity, and Catalytic Properties
Authors of publication	Esposito, Oriana; Gois, Pedro M. P.; de K. Lewis, Alexandra K.; Caddick, Stephen; Cloke, F. Geoffrey N.; Hitchcock, Peter B.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	24
Pages of publication	6411
a	12.3007 ± 0.0002 Å
b	18.7039 ± 0.0002 Å
c	19.5365 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4494.78 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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
178607 (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 4/07/18.	4071897.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071897.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071897.cif
44102	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071897 via cif-deposit CGI script.	4071897.cif