Information card for entry 7712812

Structure parameters

• Chemical name: bis-phenyl(tris(3-methylimidazol-1-yl-2-ylidene)borate (2,2'-bipyridyl radical anion) cerium(iii) toluene solvate
• Formula: C53 H56 B2 Ce N14
• Calculated formula: C53 H56 B2 Ce N14
• 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: 27.31031 ± 0.00017 Å
• b: 8.65621 ± 0.00004 Å
• c: 22.48352 ± 0.00012 Å
• α: 90°
• β: 109.431 ± 0.0007°
• γ: 90°
• Cell volume: 5012.44 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.022
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No