Information card for entry 4072705

Structure parameters

• Formula: C49 H48 B N2 Sm
• Calculated formula: C49 H48 B N2 Sm
• Title of publication: Synthesis and Reactivity of Mono(pentamethylcyclopentadienyl) Tetraphenylborate Lanthanide Complexes of Ytterbium and Samarium: Tris(ring) Precursors to (C5Me5)Ln Moieties
• Authors of publication: Evans, William J.; Champagne, Timothy M.; Ziller, Joseph W.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1204
• a: 10.7083 ± 0.0011 Å
• b: 12.1261 ± 0.0012 Å
• c: 29.779 ± 0.003 Å
• α: 90°
• β: 97.299 ± 0.002°
• γ: 90°
• Cell volume: 3835.5 ± 0.7 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 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: 0.0625
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No