Information card for entry 7014316

Structure parameters

• Formula: C23 H38 B I N6 O2 Yb
• Calculated formula: C23 B I N6 O2 Yb
• SMILES: I[Yb]12([o]3cccc3)([o]3cccc3)[n]3c(cc(C)n3[BH](n3c(cc(C)[n]13)C)n1c(cc(C)[n]21)C)C
• 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: 14.229 ± 0.007 Å
• b: 14.689 ± 0.009 Å
• c: 16.264 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3399 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No