Information card for entry 2312668

Structure parameters

• Chemical name: (<i>tert</i>-Butoxido)chloridopentakis(tetrahydrofuran)lanthanide(III) tetraphenylborate tetrahydrofuran disolvate
• Formula: C56 H85 B Ce Cl O8
• Calculated formula: C56 H85 B Ce Cl O8
• Title of publication: Structural comparison of [Ce(O^tBu)Cl(THF)₅](BPh₄) to smaller rare earth analogues.
• Authors of publication: Thomas, Jarrod R.; Sarma, Kavisha A.; Giansiracusa, Marcus J.; Sulway, Scott A.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 11
• Pages of publication: 761 - 765
• a: 13.6042 ± 0.0013 Å
• b: 12.5699 ± 0.0011 Å
• c: 32.334 ± 0.003 Å
• α: 90°
• β: 90.041 ± 0.004°
• γ: 90°
• Cell volume: 5529.2 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes