Information card for entry 1571619

Structure parameters

• Formula: C35 H51 B10 N2 Ta
• Calculated formula: C35 H51 B10 N2 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: 11.5786 ± 0.0008 Å
• b: 12.9866 ± 0.001 Å
• c: 26.895 ± 0.002 Å
• α: 90°
• β: 97.57 ± 0.002°
• γ: 90°
• Cell volume: 4008.9 ± 0.5 ų
• Cell temperature: 284 ± 2 K
• Ambient diffraction temperature: 284 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No