Information card for entry 7052540

Structure parameters

• Formula: C38 H62 B2 Li N2 Nd O4
• Calculated formula: C38 H62 B2 Li N2 Nd O4
• SMILES: [Nd]123456([n]7ccccc7C[N]1(Cc1cc(C)cc(C(C)(C)C)c1O2)Cc1cc(C)cc(C(C)(C)C)c1[O]3[Li]1([H]6[BH2][H]1)([O]1CCCC1)[O]1CCCC1)[H][BH]([H]4)[H]5
• Title of publication: Neodymium borohydride complexes supported by diamino-bis(phenoxide) ligands: diversity of synthetic and structural chemistry, and catalytic activity in ring-opening polymerization of cyclic esters
• Authors of publication: Sinenkov, Mikhail A.; Fukin, Georgy K.; Cherkasov, Anton V.; Ajellal, Noureddine; Roisnel, Thierry; Kerton, Francesca M.; Carpentier, Jean-François; Trifonov, Alexander A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 1
• Pages of publication: 204
• a: 9.744 ± 0.005 Å
• b: 14.106 ± 0.005 Å
• c: 15.815 ± 0.005 Å
• α: 73.379 ± 0.005°
• β: 80.941 ± 0.005°
• γ: 85.697 ± 0.005°
• Cell volume: 2055.9 ± 1.4 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: 0.0334
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No