Information card for entry 7131264

Structure parameters

• Formula: C22 H28 B2 N12 O Yb
• Calculated formula: C22 H28 B2 N12 O Yb
• SMILES: [Yb]1234([O]5CCCC5)([n]5n(ccc5)[BH](n5[n]1ccc5)n1[n]2ccc1)[n]1n(ccc1)[BH](n1[n]3ccc1)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: 8.893 ± 0.0002 Å
• b: 21.3773 ± 0.0006 Å
• c: 14.6247 ± 0.0004 Å
• α: 90°
• β: 104.066 ± 0.001°
• γ: 90°
• Cell volume: 2696.91 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0297
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No