Crystallography Open Database

Information card for entry 4068954

Preview

Coordinates	4068954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79.62 H68.72 N3 P6 S6 Ti
Calculated formula	C79.625 H56 N3 P6 S6 Ti
Title of publication	Bis(imidodithiodiphosphinato) Titanium and Zirconium Complexes: Synthesis, Characterization, and Their Catalytic Activity in the Polymerization of α-Olefins
Authors of publication	Chen, Fapu; Kapon, Moshe; Woollins, J. Derek; Eisen, Moris S.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	8
Pages of publication	2391
a	30.407 ± 0.0003 Å
b	24.515 ± 0.0006 Å
c	20.643 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	15387.9 ± 0.7 Å³
Cell temperature	230 ± 0.1 K
Ambient diffraction temperature	230 ± 0.1 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1973
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2311
Weighted residual factors for all reflections included in the refinement	0.276
Goodness-of-fit parameter for all reflections included in the refinement	0.904
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178579 (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 4/06/89.	4068954.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068954.cif
40059	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068954 via cif-deposit CGI script.	4068954.cif