Information card for entry 7052538

Structure parameters

• Formula: C71 H124 B4 Li2 N4 Nd2 O6
• Calculated formula: C71 H124 B4 Li2 N4 Nd2 O6
• 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: 12.5495 ± 0.0004 Å
• b: 24.3646 ± 0.0007 Å
• c: 13.2411 ± 0.0004 Å
• α: 90°
• β: 108.412 ± 0.001°
• γ: 90°
• Cell volume: 3841.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No