Information card for entry 7712785

Structure parameters

• Formula: C33 H53 B F3 N8 O3 S Yb
• Calculated formula: C33 H53 B F3 N8 O3 S Yb
• SMILES: c1(cc(C)n2[n]1[Yb]13([n]4n(c(cc4C(C)(C)C)C)[BH]2n2c(cc(C(C)(C)C)[n]32)C)([n]2c(cc(C(C)(C)C)n12)C)OS(=O)(=O)C(F)(F)F)C(C)(C)C
• Title of publication: Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand
• Authors of publication: Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.572 ± 0.012 Å
• b: 11.769 ± 0.013 Å
• c: 17.94 ± 0.02 Å
• α: 87.201 ± 0.018°
• β: 83.321 ± 0.018°
• γ: 63.69 ± 0.03°
• Cell volume: 1987 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No