Information card for entry 2312669

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: 11
• a: 13.7578 ± 0.0007 Å
• b: 12.5548 ± 0.0007 Å
• c: 32.8512 ± 0.0018 Å
• α: 90°
• β: 90.336 ± 0.002°
• γ: 90°
• Cell volume: 5674.2 ± 0.5 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0368
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes