Information card for entry 1571618

Structure parameters

• Formula: C34 H51 B10 N2 Si Ta
• Calculated formula: C34 H51 B10 N2 Si Ta
• Title of publication: Metallaaromaticity involving a d⁰ early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.
• Authors of publication: Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 7943 - 7948
• a: 11.5404 ± 0.0005 Å
• b: 16.0849 ± 0.0006 Å
• c: 20.2795 ± 0.0008 Å
• α: 90°
• β: 91.686 ± 0.001°
• γ: 90°
• Cell volume: 3762.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0451
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No