Information card for entry 7717728

Structure parameters

• Formula: C46 H71 Cl N3 O Ta
• Calculated formula: C46 H71 Cl N3 O Ta
• Title of publication: Two-fold proton coupled electron transfer of a Ta(V) aniline complex mediated by a redox active NNN pincer ligand.
• Authors of publication: Pavlidis, Sotirios; Alasadi, Jasmin; Opis-Basilio, Amanda; Abbenseth, Josh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2421 - 2429
• a: 14.7961 ± 0.0003 Å
• b: 17.6077 ± 0.0004 Å
• c: 17.5721 ± 0.0003 Å
• α: 90°
• β: 108.634 ± 0.001°
• γ: 90°
• Cell volume: 4337.99 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0219
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No