Information card for entry 7131262

Structure parameters

• Formula: C54 H50 B2 Eu N12 O2 P2
• Calculated formula: C54 H50 B2 Eu N12 O2 P2
• SMILES: [Eu]1234([O]=P(c5ccccc5)(c5ccccc5)c5ccccc5)([O]=P(c5ccccc5)(c5ccccc5)c5ccccc5)([n]5n(ccc5)[BH](n5[n]1ccc5)n1[n]3ccc1)[n]1n(ccc1)[BH](n1[n]2ccc1)n1[n]4ccc1
• 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: 12.4734 ± 0.0015 Å
• b: 22.587 ± 0.003 Å
• c: 23.443 ± 0.003 Å
• α: 74.834 ± 0.004°
• β: 89.184 ± 0.004°
• γ: 78.004 ± 0.004°
• Cell volume: 6229.9 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1782
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No