Information card for entry 7015025

Structure parameters

• Formula: C53 H96 N2 O8 Ti2
• Calculated formula: C53 H94 N2 O8 Ti2
• Title of publication: Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.
• Authors of publication: Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 2033 - 2037
• a: 9.246 ± 0.0001 Å
• b: 24.306 ± 0.0003 Å
• c: 26.284 ± 0.0003 Å
• α: 90°
• β: 91.599 ± 0.001°
• γ: 90°
• Cell volume: 5904.59 ± 0.12 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: 0.1055
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2225
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No