Information card for entry 2312474

Structure parameters

• Chemical name: Bis{hydrobis[3-(furan-2-yl)pyrazol-1-yl][5-(furan-2-yl)pyrazol-1-yl]borato}dysprosium(III) tetraphenylborate
• Formula: C66 H52 B3 Dy N12 O6
• Calculated formula: C66 H52 B3 Dy 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: 11.72 ± 0.0004 Å
• b: 11.9389 ± 0.0005 Å
• c: 21.9139 ± 0.0009 Å
• α: 75.579 ± 0.002°
• β: 76.715 ± 0.001°
• γ: 86.477 ± 0.001°
• Cell volume: 2890.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No