Information card for entry 7016063

Structure parameters

• Formula: C34.5 H46.5 F12 N7 Ti
• Calculated formula: C34.49 H46.47 F12 N7 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: 15.809 ± 0.003 Å
• b: 17.337 ± 0.003 Å
• c: 14.513 ± 0.003 Å
• α: 90°
• β: 96.545 ± 0.003°
• γ: 90°
• Cell volume: 3951.8 ± 1.3 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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: 0.122
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2293
• Weighted residual factors for all reflections included in the refinement: 0.2671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No