Information card for entry 7016061

Structure parameters

• Formula: C40 H43 F12 N5 Ti
• Calculated formula: C40 H43 F12 N5 Ti
• 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: 18.861 ± 0.004 Å
• b: 23.944 ± 0.006 Å
• c: 18.076 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8163 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1911
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.3095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No