Crystallography Open Database

Information card for entry 4063552

Preview

Coordinates	4063552.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	in paper 2a
Formula	C63 H82 B2 F6 K2 O13 P2
Calculated formula	C63 H82 B2 F6 K2 O13 P2
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	37.044 ± 0.008 Å
b	9.59 ± 0.003 Å
c	20.034 ± 0.005 Å
α	90°
β	107.68 ± 0.02°
γ	90°
Cell volume	6781 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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.	4063552.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063552.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063552.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.	4063552.cif