Information card for entry 7249393

Structure parameters

• Formula: C33 H31 B N9 Na
• Calculated formula: C33 H31 B N9 Na
• 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: 14.9362 ± 0.0003 Å
• b: 14.9362 ± 0.0003 Å
• c: 8.0716 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1559.45 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No