Information card for entry 7053048

Structure parameters

• Formula: C40 H49 Cl2 N O4 Ti
• Calculated formula: C40 H49 Cl2 N O4 Ti
• Title of publication: Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide
• Authors of publication: Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 7
• Pages of publication: 1996
• a: 8.835 ± 0.0002 Å
• b: 10.756 ± 0.0003 Å
• c: 20.488 ± 0.0007 Å
• α: 95.503 ± 0.001°
• β: 90.585 ± 0.001°
• γ: 97.92 ± 0.001°
• Cell volume: 1918.96 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No