Information card for entry 2312472

Structure parameters

• Chemical name: Bis{hydrotris[3-(furan-2-yl)pyrazol-1-yl]borato}cerium(III) tetraphenylborate dichloromethane disolvate
• Formula: C68 H56 B3 Ce Cl4 N12 O6
• Calculated formula: C68 H56 B3 Ce Cl4 N12 O6
• Title of publication: Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.
• Authors of publication: Thomas, Jarrod R.; Sulway, Scott A.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• a: 11.2742 ± 0.0005 Å
• b: 27.1355 ± 0.0013 Å
• c: 21.3644 ± 0.001 Å
• α: 90°
• β: 90.166 ± 0.002°
• γ: 90°
• Cell volume: 6536 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0364
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No