Information card for entry 7031130

Structure parameters

• Formula: C57 H73 N2 O3 Sc Si2
• Calculated formula: C57 H73 N2 O3 Sc Si2
• SMILES: [Sc]123(N([SiH](C)C)[SiH](C)C)[O](C)CC[N]1(Cc1c(O2)c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)Cc1c(O3)c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
• Title of publication: Scandium versus yttrium{amino-alkoxy-bis(phenolate)} complexes for the stereoselective ring-opening polymerization of racemic lactide and β-butyrolactone.
• Authors of publication: Chapurina, Yulia; Klitzke, Joice; Casagrande, Jr, Osvaldo de L; Awada, Mouhamad; Dorcet, Vincent; Kirillov, Evgueni; Carpentier, Jean-François
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14322 - 14333
• a: 17.9067 ± 0.0006 Å
• b: 11.2217 ± 0.0004 Å
• c: 26.2238 ± 0.0008 Å
• α: 90°
• β: 91.395 ± 0.001°
• γ: 90°
• Cell volume: 5267.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No