Information card for entry 1547247

Structure parameters

• Formula: C40 H60 N2 O4 Ti
• Calculated formula: C40 H60 N2 O4 Ti
• Title of publication: Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide
• Authors of publication: Stuart L Hancock; Mary F. Mahon; Matthew D. Jones
• Journal of publication: Chemistry Central Journal
• Year of publication: 2013
• Journal volume: 7
• Pages of publication: 135
• a: 14.053 ± 0.0002 Å
• b: 13.582 ± 0.0002 Å
• c: 20.148 ± 0.0004 Å
• α: 90°
• β: 91.528 ± 0.001°
• γ: 90°
• Cell volume: 3844.24 ± 0.11 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: 0.083
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No