Information card for entry 7014312

Structure parameters

• Formula: C49 H95 B N6 O Si2 Sm
• Calculated formula: C35 H67 B N6 O Si2 Sm
• SMILES: [Sm]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)[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: 12.1033 ± 0.0009 Å
• b: 16.3329 ± 0.0013 Å
• c: 16.7012 ± 0.0013 Å
• α: 65.792 ± 0.001°
• β: 70.674 ± 0.001°
• γ: 89.696 ± 0.002°
• Cell volume: 2808.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0777
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No