Information card for entry 4068329

Structure parameters

• Formula: C18 H29 N Ti
• Calculated formula: C18 H29 N Ti
• SMILES: [Ti]1234(n5c(ccc5C)C)([c]5([c]4([c]3([c]2([c]15C)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: 9.0942 ± 0.0005 Å
• b: 12.9222 ± 0.0009 Å
• c: 30.1231 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3540 ± 0.4 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No