Information card for entry 1505138

Structure parameters

• Formula: C12 H32 Cl4 O6 Ti2
• Calculated formula: C12 H32 Cl4 O6 Ti2
• SMILES: [Ti]1(Cl)(Cl)(OCC)([OH]CC)[O]([Ti](Cl)(Cl)(OCC)([OH]CC)[O]1CC)CC
• Title of publication: Synthesis and Characterization of Dichlorotitanium Alkoxide Complex and Its Activity in the Polymerization of α-Olefins
• Authors of publication: Gueta-Neyroud, Tal; Tumanskii, Boris; Kapon, Moshe; Eisen, Moris S.
• Journal of publication: Macromolecules
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 15
• Pages of publication: 5261
• a: 7.186 ± 0.001 Å
• b: 9.546 ± 0.001 Å
• c: 9.894 ± 0.0012 Å
• α: 63.082 ± 0.01°
• β: 86.77 ± 0.005°
• γ: 80.046 ± 0.006°
• Cell volume: 595.87 ± 0.14 ų
• Cell temperature: 230 ± 0.1 K
• Ambient diffraction temperature: 230 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No