Information card for entry 4080198

Structure parameters

• Formula: C31 H47 B2 N2 O2 Sc
• Calculated formula: C31 H39 B2 N2 O2 Sc
• SMILES: N1(C(c2ccccc2)=[N]([C@@H](C)c2ccccc2)[Sc]123([H][BH2][H]2)([H][BH2][H]3)([O]1CCCC1)[O]1CCCC1)[C@@H](C)c1ccccc1
• Title of publication: Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide
• Authors of publication: Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1230
• a: 13.282 ± 0.003 Å
• b: 12.463 ± 0.003 Å
• c: 10.964 ± 0.002 Å
• α: 90°
• β: 118.85 ± 0.03°
• γ: 90°
• Cell volume: 1589.7 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No