Crystallography Open Database

Information card for entry 4073824

Preview

Coordinates	4073824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 Cl2 N O Ti
Calculated formula	C30 H39 Cl2 N O Ti
SMILES	[Ti]1234(Cl)(Cl)(Oc5c(cccc5/C=N/c5c(cccc5C(C)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	23.967 ± 0.01 Å
b	8.126 ± 0.004 Å
c	15.972 ± 0.006 Å
α	90°
β	107.487 ± 0.018°
γ	90°
Cell volume	2967 ± 2 Å³
Cell temperature	243.1 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	4073824.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073824.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073824.cif
46564	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073824 via cif-deposit CGI script.	4073824.cif