Information card for entry 7013669

Structure parameters

• Formula: C33 H56 N O3 S2 Sc Si2
• Calculated formula: C33 H56 N O3 S2 Sc Si2
• SMILES: [Sc]123([S](c4c(O3)c(cc(c4)C)C(C)(C)C)CCC[S]1c1c(O2)c(cc(c1)C)C(C)(C)C)(N([SiH](C)C)[SiH](C)C)[O]1CCCC1
• Title of publication: Rare earth metal complexes supported by 1,ω-dithiaalkanediyl-bridged bis(phenolato) ligands: synthesis, characterization and ring-opening polymerization catalysis of l-lactide
• Authors of publication: Ma, Haiyan; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4770 - 4780
• a: 8.951 ± 0.003 Å
• b: 11.127 ± 0.004 Å
• c: 20.548 ± 0.002 Å
• α: 102.28 ± 0.02°
• β: 99.6 ± 0.02°
• γ: 95.03 ± 0.03°
• Cell volume: 1955.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1609
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No