Information card for entry 7052539

Structure parameters

• Formula: C74 H122 Li N4 Nd O4
• Calculated formula: C74 H122 Li N4 Nd O4
• 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: 15.0652 ± 0.0008 Å
• b: 18.92 ± 0.001 Å
• c: 26.4699 ± 0.0015 Å
• α: 90°
• β: 92.549 ± 0.001°
• γ: 90°
• Cell volume: 7537.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1127
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No