Information card for entry 7249398

Structure parameters

• Formula: C32 H28 B2 Li2 N12
• Calculated formula: C32 H28 B2 Li2 N12
• Title of publication: Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts
• Authors of publication: Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 30713 - 30718
• a: 10.5827 ± 0.0005 Å
• b: 21.2856 ± 0.0011 Å
• c: 14.616 ± 0.0006 Å
• α: 90°
• β: 104.567 ± 0.002°
• γ: 90°
• Cell volume: 3186.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No