Information card for entry 4080201

Structure parameters

• Formula: C31 H47 B2 N2 O2 Sm
• Calculated formula: C31 H47 B2 N2 O2 Sm
• SMILES: [BH2]1[H][Sm]23([N](=C(c4ccccc4)N3[C@@H](C)c3ccccc3)[C@@H](C)c3ccccc3)([O]3CCCC3)([H]1)([H][BH2][H]2)[O]1CCCC1
• 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: 13.223 ± 0.003 Å
• b: 12.678 ± 0.003 Å
• c: 10.773 ± 0.002 Å
• α: 90°
• β: 117.34 ± 0.03°
• γ: 90°
• Cell volume: 1604.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0223
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No