Information card for entry 7014310

Structure parameters

• Common name: hydro-(tris-3-t-butyl-5-methylpyrazolyl)borate samarium iodide bis THF adduct
• Formula: C34 H61 B I N6 O2.5 Sm
• Calculated formula: C34 H61 B I N6 O2.5 Sm
• Title of publication: Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands‒iodides, hydrocarbyls and triethylborohydrides.
• Authors of publication: Zhang, X. W.; Maunder, Graham H.; Giessmann, Stefan; MacDonald, Robert; Ferguson, Michael J.; Bond, Andrew H.; Rogers, Robin D.; Sella, Andrea; Takats, Josef
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 195 - 210
• a: 21.609 ± 0.003 Å
• b: 12.869 ± 0.002 Å
• c: 15.323 ± 0.003 Å
• α: 90°
• β: 98.35 ± 0.013°
• γ: 90°
• Cell volume: 4215.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No