Crystallography Open Database

Information card for entry 4063553

Preview

Coordinates	4063553.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	in paper 3a
Formula	C37 H53 B Cl F3 K O8 P Pd
Calculated formula	C37 H53 B Cl F3 K O8 P Pd
Title of publication	Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands
Authors of publication	Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	16
Pages of publication	4236
a	9.989 ± 0.002 Å
b	10.039 ± 0.002 Å
c	42.068 ± 0.007 Å
α	90°
β	94.829 ± 0.005°
γ	90°
Cell volume	4203.6 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.252
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
178530 (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 4/06/35.	4063553.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063553.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063553.cif
24978	2011-09-08	../uploads/cif-deposit/cod/cif Adding structures of 4063551, 4063552, 4063553, 4063554, 4063555, 4063556, 4063557, 4063558 via cif-deposit CGI script.	4063553.cif