Crystallography Open Database

Information card for entry 4079143

Preview

Structure parameters

Chemical name	(2,6-diisopropyl-phenyl)-[(2-isopropyl-phenyl)-[6-(1H-pyrrol-2-yl)- pyridin-2-yl]-methyl]-amine-bis(dimethylamino) -Titanium(I)
Formula	C35 H47 N5 Ti
Calculated formula	C35 H47 N5 Ti
SMILES	[Ti]12(N(C(c3[n]1c(ccc3)c1n2ccc1)c1ccccc1C(C)C)c1c(cccc1C(C)C)C(C)C)(N(C)C)N(C)C
Title of publication	New Titanium and Hafnium Complexes Bearing [−NNN–] Pyrrolylpyridylamido Ligands as Olefin Polymerization Catalysts
Authors of publication	Li, Gang; Lamberti, Marina; Roviello, Giuseppina; Pellecchia, Claudio
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	19
Pages of publication	6772
a	11.044 ± 0.001 Å
b	12.581 ± 0.0014 Å
c	12.62 ± 0.0009 Å
α	81.165 ± 0.008°
β	78.221 ± 0.007°
γ	75.831 ± 0.012°
Cell volume	1654.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4079143.html