Information card for entry 7016062

Structure parameters

• Formula: C24 H23 F11 N4 Ti
• Calculated formula: C24 H23 F11 N4 Ti
• SMILES: [Ti](N(C)C)(N(C)C)(N(C)C)n1c(cc(c1)c1c(F)c(F)c(F)c(F)c1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• Title of publication: Synthesis and hydroamination catalysis with 3-aryl substituted pyrrolyl and dipyrrolylmethane titanium(iv) complexes.
• Authors of publication: Swartz Ii, Douglas L.; Staples, Richard J.; Odom, Aaron L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 30
• Pages of publication: 7762 - 7768
• a: 20.158 ± 0.0003 Å
• b: 20.8436 ± 0.0003 Å
• c: 13.8566 ± 0.0002 Å
• α: 90°
• β: 107.638 ± 0.001°
• γ: 90°
• Cell volume: 5548.37 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No