Information card for entry 4068328

Structure parameters

• Formula: C16 H25 N Ti
• Calculated formula: C16 H25 N Ti
• SMILES: [Ti]1234(n5cccc5)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C)C
• 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: 6.8203 ± 0.0003 Å
• b: 26.8547 ± 0.0011 Å
• c: 8.6868 ± 0.0004 Å
• α: 90°
• β: 93.5074 ± 0.0014°
• γ: 90°
• Cell volume: 1588.07 ± 0.12 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 4
• 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: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No