Crystallography Open Database

Information card for entry 4073825

Preview

Coordinates	4073825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H45 Cl2 N O Ti
Calculated formula	C33 H45 Cl2 N O Ti
SMILES	[Ti]1234(Cl)(Cl)(Oc5c(cccc5C(C)(C)C)/C=N/c5c(cccc5C(C)C)C(C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
Title of publication	Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization
Authors of publication	Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	24
Pages of publication	5967
a	18.083 ± 0.003 Å
b	15.268 ± 0.003 Å
c	23.643 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6528 ± 2 Å³
Cell temperature	243.1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4073825.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073825.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073825.cif
46565	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073825 via cif-deposit CGI script.	4073825.cif