Information card for entry 7712811

Structure parameters

• Chemical name: Phenyl (tetrakis-tetrahydrofuran lithium)(tris(3-methylimidazol-1-yl-2-ylidene)borate-cerium(iii) triiodide)
• Formula: C41 H60 B Ce I3 Li N6 O4
• Calculated formula: C41 H60 B Ce I3 Li N6 O4
• 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: 11.028 ± 0.0002 Å
• b: 13.4919 ± 0.0002 Å
• c: 33.1783 ± 0.0006 Å
• α: 90°
• β: 98.164 ± 0.002°
• γ: 90°
• Cell volume: 4886.53 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0378
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No