Information card for entry 1516112

Structure parameters

• Formula: C36.83 H46.32 Cl2.34 N2 O Ti
• Calculated formula: C36.828 H46.32 Cl2.336 N2 O Ti
• Title of publication: Investigations into Asymmetric Post-Metallocene Group 4 Complexes for the Synthesis of Highly Regioirregular Polypropylene
• Authors of publication: Klet, Rachel C.; Theriault, Curt N.; Klosin, Jerzy; Labinger, Jay A.; Bercaw, John E.
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3317
• a: 10.387 ± 0.002 Å
• b: 15.918 ± 0.004 Å
• c: 21.74 ± 0.005 Å
• α: 76.406 ± 0.005°
• β: 79.036 ± 0.005°
• γ: 87.948 ± 0.005°
• Cell volume: 3429.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No