Crystallography Open Database

Information card for entry 4064994

Preview

Coordinates	4064994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H40 Cl3 N3 O4 Pd S
Calculated formula	C31.5 H40 Cl2.994 N3 O4 Pd S
Title of publication	Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand
Authors of publication	Zhou, Xiaoyuan; Jordan, Richard F.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	17
Pages of publication	4632
a	11.1855 ± 0.0018 Å
b	11.4657 ± 0.0019 Å
c	16.171 ± 0.003 Å
α	108.711 ± 0.003°
β	91.482 ± 0.003°
γ	115.68 ± 0.003°
Cell volume	1737 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	0.799
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4064994.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064994.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064994.cif
33125	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064990, 4064991, 4064992, 4064993, 4064994, 4064995, 4064996, 4064997 via cif-deposit CGI script.	4064994.cif