Information card for entry 7712799

Structure parameters

• Formula: C36 H58 B Br N7 Yb
• Calculated formula: C36 H58 B Br N7 Yb
• SMILES: c1(cc(C)n2[BH]3n4c(cc(C(C)(C)C)[n]4[Yb](Br)([n]12)([n]1n3c(cc1C(C)(C)C)C)Nc1c(cccc1C(C)C)C(C)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: 11.675 ± 0.008 Å
• b: 18.213 ± 0.013 Å
• c: 18.789 ± 0.013 Å
• α: 90°
• β: 98.165 ± 0.019°
• γ: 90°
• Cell volume: 3955 ± 5 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: 0.0345
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0612
• 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