Information card for entry 7131266

Structure parameters

• Formula: C42.5 H56 B2 F6 K N12 O12 S2 Y
• Calculated formula: C42.5 H56 B2 F6 K N12 O12 S2 Y
• Title of publication: Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.
• Authors of publication: Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 15
• Pages of publication: 2134 - 2137
• a: 17.124 ± 0.003 Å
• b: 18.094 ± 0.003 Å
• c: 19.856 ± 0.003 Å
• α: 89.056 ± 0.007°
• β: 69.647 ± 0.006°
• γ: 76.348 ± 0.006°
• Cell volume: 5590.6 ± 1.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2332
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.2556
• Weighted residual factors for all reflections included in the refinement: 0.3159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No