Information card for entry 4332500

Structure parameters

• Formula: C25 H44 B Li N6 O
• Calculated formula: C25 H44 B Li N6 O
• Title of publication: Noveltert-Butyl-tris(3-hydrocarbylpyrazol-1-yl)borate Ligands: Synthesis, Spectroscopic Studies, and Coordination Chemistry#
• Authors of publication: Graziani, Olivier; Hamon, Paul; Thépot, Jean-Yves; Toupet, Loïc; Szilágyi, Petra Á.; Molnár, Gábor; Bousseksou, Azzedine; Tilset, Mats; Hamon, Jean-René
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5661 - 5674
• a: 11.2991 ± 0.0003 Å
• b: 11.5788 ± 0.0003 Å
• c: 11.6144 ± 0.0004 Å
• α: 86.307 ± 0.001°
• β: 85.587 ± 0.001°
• γ: 70.603 ± 0.002°
• Cell volume: 1427.8 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No