Information card for entry 7701351

Structure parameters

• Formula: C39 H62 N O2 Sc Si
• Calculated formula: C39 H62 N O2 Sc Si
• Title of publication: Constrained geometry scandium permethylindenyl complexes for the ring-opening polymerisation of l- and rac-lactide.
• Authors of publication: Diteepeng, Nichabhat; Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 42
• Pages of publication: 16099 - 16107
• a: 8.8421 ± 0.0001 Å
• b: 17.8213 ± 0.0002 Å
• c: 24.1749 ± 0.0004 Å
• α: 90°
• β: 96.886 ± 0.001°
• γ: 90°
• Cell volume: 3781.95 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No