Information card for entry 1557576

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 ų
• 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 Fobs: No