Information card for entry 4072703

Structure parameters

• Formula: C40 H41 B Sm
• Calculated formula: C40 H41 B Sm
• SMILES: [Sm]123456789%10%11%12%13%14%15([c]%16([c]4([c]3([c]2([c]1%16C)C)C)C)C)[c]1([cH]9[cH]8[cH]7[cH]6[cH]51)[B]([c]1%10[cH]%11[cH]%12[cH]%13[cH]%14[cH]%151)(c1ccccc1)c1ccccc1.c1ccccc1
• 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: 17.081 ± 0.003 Å
• b: 9.9752 ± 0.0017 Å
• c: 18.816 ± 0.003 Å
• α: 90°
• β: 95.676 ± 0.003°
• γ: 90°
• Cell volume: 3190.3 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No