Information card for entry 7712798

Structure parameters

• Formula: C95 H156 B2 Ga2 I N13 O2 Yb2
• Calculated formula: C95 H156 B2 Ga2 I N13 O2 Yb2
• SMILES: c1(cc(C)n2[BH]3n4c(cc(C(C)(C)C)[n]4[Yb]([n]12)([n]1c(cc(C)n31)C(C)(C)C)([O]1CCCC1)[I][Yb]12([n]3c(cc(C)n3[BH](n3c(cc(C(C)(C)C)[n]13)C)n1c(cc(C(C)(C)C)[n]21)C)C(C)(C)C)[O]1CCCC1)C)C(C)(C)C.c1(c(cccc1C(C)C)C(C)C)[NH]([Ga](C)(C)C)[Ga](C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• 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: 17.52 ± 0.015 Å
• b: 30.61 ± 0.03 Å
• c: 19.717 ± 0.018 Å
• α: 90°
• β: 103.34 ± 0.03°
• γ: 90°
• Cell volume: 10289 ± 16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1963
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No