Information card for entry 7712793

Structure parameters

• Formula: C63 H82 B N9 Si Yb
• Calculated formula: C63 H82 B N9 Si Yb
• SMILES: c1(cc(C)n2[n]1[Yb]1([n]3c(cc(C)n3[BH]2n2c(cc(C(C)(C)C)[n]12)C)C(C)(C)C)(N[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)N(C)C)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)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: 11.3413 ± 0.001 Å
• b: 19.1966 ± 0.0018 Å
• c: 27.315 ± 0.003 Å
• α: 90°
• β: 90.707 ± 0.002°
• γ: 90°
• Cell volume: 5946.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No