Crystallography Open Database

Information card for entry 4064993

Preview

Coordinates	4064993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 B F15 N3 O3 Pd S
Calculated formula	C50 H44 B F15 N3 O3 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	11.965 ± 0.003 Å
b	13.617 ± 0.003 Å
c	16.465 ± 0.004 Å
α	112.533 ± 0.004°
β	92.003 ± 0.004°
γ	101.246 ± 0.004°
Cell volume	2412.4 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
178543 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/49.	4064993.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064993.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064993.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.	4064993.cif