Crystallography Open Database

Information card for entry 4068798

Preview

Coordinates	4068798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H29 B F24 Ni
Calculated formula	C44 H29 B F24 Ni
Title of publication	Synthesis and Reactivity of Cationic (Allyl)(arene)nickel(II) and (Allyl)(arene)palladium(II) Complexes
Authors of publication	O’Connor, Abby R.; Urbin, Stephanie A.; Moorhouse, Rebecca A.; White, Peter S.; Brookhart, Maurice
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	8
Pages of publication	2372
a	13.3171 ± 0.0003 Å
b	15.2363 ± 0.0003 Å
c	22.3966 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4544.34 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
178577 (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 4/06/87.	4068798.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068798.cif
39978	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068797, 4068798 via cif-deposit CGI script.	4068798.cif