Information card for entry 7712813

Structure parameters

• Chemical name: bis(Phenyl tris(3-methylimidazol-1-yl-2-ylidene)borate)-ytterbium(iii) iodide
• Formula: C36 H40 B2 I N12 Yb
• Calculated formula: C36 H40 B2 I N12 Yb
• SMILES: [Yb]1234(=C5N(C=CN5[B](N5C=CN(C=15)C)(N1C=CN(C=41)C)c1ccccc1)C)=C1N(C=CN1C)[B](N1C=CN(C=21)C)(N1C=CN(C)C=31)c1ccccc1.[I-]
• Title of publication: Tris(carbene)borates; alternatives to cyclopentadienyls in organolanthanide chemistry.
• Authors of publication: Price, Amy N.; Gupta, Ankur K.; de Jong, Wibe A.; Arnold, Polly L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 9.982 ± 0.0001 Å
• b: 21.917 ± 0.0002 Å
• c: 40.0903 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8770.78 ± 0.14 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No