Information card for entry 7014315

Structure parameters

• Formula: C32 H59 B N6 O Si Yb
• Calculated formula: C32 H59 B N6 O Si Yb
• SMILES: [Yb]12([O]3CCCC3)([n]3n(c(cc3C(C)(C)C)C)[BH](n3[n]1c(cc3C)C(C)(C)C)n1[n]2c(cc1C)C(C)(C)C)C[Si](C)(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: 10.9336 ± 0.0011 Å
• b: 13.1957 ± 0.0013 Å
• c: 14.0307 ± 0.0012 Å
• α: 83.721 ± 0.007°
• β: 71.087 ± 0.008°
• γ: 86.607 ± 0.008°
• Cell volume: 1902.9 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No