Information card for entry 7015024

Structure parameters

• Formula: C62 H116 N2 O8 Ti2
• Calculated formula: C62 H116 N2 O8 Ti2
• SMILES: C(C)(O[Ti]1([N]2(Cc3c(O1)c(C(C)(C)CC)cc(c3)C(C)(CC)C)CC[N]1(Cc3c(O[Ti]1(OC(C)C)(OC(C)C)OC(C)C)c(cc(c3)C(C)(CC)C)C(C)(C)CC)CC2)(OC(C)C)OC(C)C)C.CCCCCC
• 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: 11.045 ± 0.001 Å
• b: 13.255 ± 0.0011 Å
• c: 13.914 ± 0.0014 Å
• α: 115.99 ± 0.005°
• β: 109.683 ± 0.005°
• γ: 91.805 ± 0.005°
• Cell volume: 1685 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No