Information card for entry 7712801

Structure parameters

• Formula: C108 H188 B4 Cl6 N24 Yb5
• Calculated formula: C108 H188 B4 Cl6 N24 Yb5
• SMILES: c1(cc(C(C)(C)C)[n]2n1[BH]1n3c(cc(C(C)(C)C)[n]3[Yb]342([Cl]2[Yb]567894([Cl][Yb]4%1027[n]2c(cc(C)n2[BH](n2c(cc(C(C)(C)C)[n]42)C)n2c(cc(C(C)(C)C)[n]%102)C)C(C)(C)C)([Cl][Yb]249([Cl]5[Yb]578([Cl]6)[n]6c(cc(C)n6[BH](n6c(cc(C(C)(C)C)[n]56)C)n5c(cc(C(C)(C)C)[n]75)C)C(C)(C)C)[n]5c(cc(C)n5[BH](n5c(cc(C(C)(C)C)[n]25)C)n2c(cc(C(C)(C)C)[n]42)C)C(C)(C)C)[Cl]3)[n]2c(cc(C)n12)C(C)(C)C)C)C.CCCCCC.CCCCCC
• 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: 46.844 ± 0.002 Å
• b: 19.2663 ± 0.0008 Å
• c: 28.8401 ± 0.0013 Å
• α: 90°
• β: 96.973 ± 0.002°
• γ: 90°
• Cell volume: 25836 ± 1.9 ų
• Cell temperature: 97 ± 2 K
• Ambient diffraction temperature: 97 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No