Information card for entry 1513288

Structure parameters

• Formula: C56 H87 B2 Li Nd O3 Si
• Calculated formula: C56 H87 B2 Li Nd O3 Si
• SMILES: [BH3][H][Nd]123456789%10%11([H][BH]([H]4)[H]5)[c]4([c]56[c]7([c]86[c]14cc(cc6)C(C)(C)C)ccc(c5)C(C)(C)C)[Si]([c]12[c]92cc(cc[c]%102[c]%112[c]31cc(cc2)C(C)(C)C)C(C)(C)C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: ansa-Bis(fluorenyl)neodymium Catalysts for Cyclocopolymerization of Ethylene with Butadiene
• Authors of publication: Thuilliez, Julien; Ricard, Louis; Nief, François; Boisson, Fernande; Boisson, Christophe
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 3774
• a: 16.534 ± 0.001 Å
• b: 18.049 ± 0.001 Å
• c: 21.215 ± 0.001 Å
• α: 75.06 ± 0.001°
• β: 71.05 ± 0.001°
• γ: 71.2 ± 0.001°
• Cell volume: 5584.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No