Information card for entry 7024697

Structure parameters

• Formula: C92 H88 N O3 S Sc Si4
• Calculated formula: C92 H88 N O3 S Sc Si4
• SMILES: [s]12[Sc]3(N([SiH](C)C)[SiH](C)C)(Oc4c(c2ccc1c1c(O3)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12)c1ccccc1cc4[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Group 3 metal complexes supported by tridentate pyridine- and thiophene-linked bis(naphtholate) ligands: synthesis, structure, and use in stereoselective ring-opening polymerization of racemic lactide and beta-butyrolactone.
• Authors of publication: Grunova, Ekaterina; Kirillov, Evgueni; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6739 - 6752
• a: 12.396 ± 0.0007 Å
• b: 15.9382 ± 0.001 Å
• c: 21.8083 ± 0.0014 Å
• α: 103.867 ± 0.004°
• β: 98.581 ± 0.004°
• γ: 106.022 ± 0.003°
• Cell volume: 3912.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1761
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No