Information card for entry 7242740

Structure parameters

• Formula: C33 H31 B K N9
• Calculated formula: C33 H31 B K N9
• Title of publication: In situ tracking and characterisation of scorpionate ligands via11B-NMR spectroscopy
• Authors of publication: Thomas, Jarrod R.; Sulway, Scott A.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 27
• Pages of publication: 16158 - 16160
• a: 15.2163 ± 0.0006 Å
• b: 15.2163 ± 0.0006 Å
• c: 8.191 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1642.43 ± 0.12 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0646
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No