Information card for entry 4068331

Structure parameters

• Formula: C11 H13 Cl2 N Ti
• Calculated formula: C11 H13 Cl2 N Ti
• SMILES: [Ti]12345678(Cl)(Cl)(N9[C]5(=[CH]6[CH]7=[C]89C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Synthesis and Structural Analysis of (Cyclopentadienyl)(pyrrolide)titanium(IV) Complexes and Their Use in Catalysis for Olefin Polymerization
• Authors of publication: Saeed, Irfan; Katao, Shohei; Nomura, Kotohiro
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 111
• a: 8.0616 ± 0.0003 Å
• b: 15.7344 ± 0.0006 Å
• c: 11.4488 ± 0.0004 Å
• α: 90°
• β: 110.389 ± 0.001°
• γ: 90°
• Cell volume: 1361.23 ± 0.09 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No