Information card for entry 7007146

Structure parameters

• Formula: C42 H66 N2 O4 Ti
• Calculated formula: C42 H66 N2 O4 Ti
• Title of publication: Titanium-salen complexes as initiators for the ring opening polymerisation of rac-lactide.
• Authors of publication: Gregson, Charlotte K. A.; Blackmore, Ian J.; Gibson, Vernon C.; Long, Nicholas J.; Marshall, Edward L.; White, Andrew J. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 25
• Pages of publication: 3134 - 3140
• a: 10.2283 ± 0.0011 Å
• b: 18.9578 ± 0.0012 Å
• c: 21.8874 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4244.1 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No