Information card for entry 4088136

Structure parameters

• Formula: C15 H37 B2 Nd O3
• Calculated formula: C15 H37 B2 Nd O3
• Title of publication: Mixed Allyl‒Borohydride Lanthanide Complexes: Synthesis of Ln(BH4)2(C3H5)(THF)3 (Ln = Nd, Sm), Characterization, and Reactivity toward Polymerization
• Authors of publication: Fadlallah, Sami; Terrier, Michaël; Jones, Chloe; Roussel, Pascal; Bonnet, Fanny; Visseaux, Marc
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 456
• a: 9.7322 ± 0.0004 Å
• b: 13.8301 ± 0.0005 Å
• c: 14.8354 ± 0.0006 Å
• α: 90°
• β: 90.72 ± 0.002°
• γ: 90°
• Cell volume: 1996.65 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for significantly intense reflections: 2.7
• Goodness-of-fit parameter for all reflections included in the refinement: 2.52
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No