Crystallography Open Database

Information card for entry 4074658

Preview

Coordinates	4074658.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[N,N'-1,3-tetrakis(1,1-dimethylethyl)- 1,3,2,4-diazaphosphetidine-2,4-diaminato(2-)-κN2,κN4] phenylmethylene(tetrahydrofuran)titanium(IV)
Formula	C27 H50 N4 O P2 Ti
Calculated formula	C27 H50 N4 O P2 Ti
Title of publication	Titanium and Zirconium Benzyl Complexes Bearing Bulky Bis(amido)cyclodiphosph(III)azanes: Synthesis, Structure, Activation, and Ethene Polymerization Studies
Authors of publication	Axenov, Kirill V.; Kilpeläinen, Ilkka; Klinga, Martti; Leskelä, Markku; Repo, Timo
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	2
Pages of publication	463
a	9.737 ± 0.001 Å
b	11.711 ± 0.002 Å
c	14.758 ± 0.002 Å
α	89.05 ± 0.01°
β	70.79 ± 0.01°
γ	89.94 ± 0.01°
Cell volume	1588.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1092
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178635 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/46.	4074658.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074658.cif
48635	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074658, 4074659, 4074660 via cif-deposit CGI script.	4074658.cif