Crystallography Open Database

Information card for entry 4109292

Preview

Coordinates	4109292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H35 B F24 Ni
Calculated formula	C47 H35 B F24 Ni
Title of publication	The Mechanism of Polymerization of Butadiene by "Ligand-Free" Nickel(II) Complexes
Authors of publication	Abby R. O'Connor; Peter S. White; Maurice Brookhart
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	4142 - 4143
a	17.6927 ± 0.0006 Å
b	19.4801 ± 0.0006 Å
c	26.9426 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	9285.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1148
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.2564
Weighted residual factors for all reflections included in the refinement	0.2744
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178838 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92.	4109292.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109292.cif
58057	2012-05-24	cif/ Adding structures of 4109292 via cif-deposit CGI script.	4109292.cif