Information card for entry 4080200

Structure parameters

• Formula: C31 H47 B2 N2 Nd O2
• Calculated formula: C31 H47 B2 N2 Nd O2
• SMILES: [O]1([Nd]234([H][BH2][H]3)([H][BH2][H]4)(N(C(=[N]2[C@@H](C)c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C)[O]2CCCC2)CCCC1
• 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: 12.679 ± 0.003 Å
• c: 10.765 ± 0.002 Å
• α: 90°
• β: 116.91 ± 0.03°
• γ: 90°
• Cell volume: 1609.4 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No