Crystallography Open Database

Information card for entry 4068952

Preview

Coordinates	4068952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66.92 H72.48 N4 P4 S4 Zr
Calculated formula	C66.91 H60 N4 P4 S4 Zr
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	46.952 ± 0.007 Å
b	14.9921 ± 0.0005 Å
c	19.0567 ± 0.0007 Å
α	90°
β	90.823 ± 0.002°
γ	90°
Cell volume	13413 ± 2 Å³
Cell temperature	230 ± 0.1 K
Ambient diffraction temperature	230 ± 0.1 K
Number of distinct elements	6
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	0.1117
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	4068952.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068952.cif
40057	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068952 via cif-deposit CGI script.	4068952.cif