Information card for entry 7712786

Structure parameters

• Formula: C36 H58 B N7 Yb
• Calculated formula: C36 H58 B N7 Yb
• SMILES: c1(C(C)(C)C)cc(C)n2[BH]3n4c(cc(C(C)(C)C)[n]4[Yb]([n]12)([n]1c(cc(C)n31)C(C)(C)C)Nc1c(cccc1C(C)C)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: 9.5488 ± 0.0004 Å
• b: 23.9283 ± 0.0011 Å
• c: 16.2362 ± 0.0007 Å
• α: 90°
• β: 93.382 ± 0.001°
• γ: 90°
• Cell volume: 3703.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No