Information card for entry 7053598

Structure parameters

• Formula: C32 H34 B Nd O Si
• Calculated formula: C32 H34 B Nd O Si
• SMILES: [Nd]123456789([O]%10CCCC%10)([c]%10([Si](C)(C)[c]%115[c]56[c]7(cccc5)[c]58[c]9%11cccc5)[c]51cccc[c]25[c]13cccc[c]4%101)[H][BH3]
• Title of publication: Neutral ansa-bis(fluorenyl)silane neodymium borohydrides: synthesis, structural study and behaviour as catalysts in butadiene‒ethylene copolymerisation
• Authors of publication: Cortial, Guillaume; Le Goff, Xavier-Frederic; Bousquié, Magali; Boisson, Christophe; Le Floch, Pascal; Nief, François; Thuilliez, Julien
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 2290
• a: 9.4 ± 0.001 Å
• b: 11.887 ± 0.001 Å
• c: 24.07 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2689.5 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No