Crystallography Open Database

Information card for entry 1557576

Preview

Coordinates	1557576.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis(dibenzoylmethanate)dichlorotitanium(IV)
Formula	C30 H22 Cl2 O4 Ti
Calculated formula	C30 Cl2 O4 Ti
SMILES	[Ti]12(Cl)(Cl)([O]=C(C=C(O1)c1ccccc1)c1ccccc1)[O]=C(C=C(O2)c1ccccc1)c1ccccc1
Title of publication	Group 4 Metal Alkoxo Complexes as Catalysts for Olefin Polymerization: Synthesis and Crystal Structure of Bis(dibenzoylmethanate)dichlorotitanium(IV)
Authors of publication	Matilainen, Leena; Mutikainen, Ilpo; Leskela, Markku
Journal of publication	Acta Chemica Scandinavica
Year of publication	1996
Journal volume	50
Pages of publication	755 - 758
a	16.214 ± 0.003 Å
b	17.3 ± 0.003 Å
c	18.967 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5320.3 ± 1.8 Å³
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1742
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.1821
Weighted residual factors for all reflections included in the refinement	0.2394
Goodness-of-fit parameter for all reflections included in the refinement	0.918
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
249279 (current)	2020-03-11	cif/ Adding structures of 1557576 via cif-deposit CGI script.	1557576.cif