Information card for entry 7053044

Structure parameters

• Formula: C60 H108 N2 O8 Ti2
• Calculated formula: C60 H108 N2 O8 Ti2
• 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: 17.137 ± 0.0012 Å
• b: 11.457 ± 0.0016 Å
• c: 17.233 ± 0.0015 Å
• α: 90°
• β: 95.355 ± 0.005°
• γ: 90°
• Cell volume: 3368.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No