Information card for entry 1513297

Structure parameters

• Formula: C60 H72 N O4 Ti
• Calculated formula: C60 H72 N O4 Ti
• Title of publication: Synthesis of Early Transition Metal Bisphenolate Complexes and Their Use as Olefin Polymerization Catalysts
• Authors of publication: Golisz, Suzanne R.; Bercaw, John E.
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 8751
• a: 13.206 ± 0.003 Å
• b: 13.234 ± 0.003 Å
• c: 15.814 ± 0.003 Å
• α: 80.363 ± 0.004°
• β: 67.605 ± 0.004°
• γ: 74.122 ± 0.004°
• Cell volume: 2451.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No