Information card for entry 7716257

Structure parameters

• Formula: C20 H14 Cl3 F N6 Pd
• Calculated formula: C20 H14 Cl3 F N6 Pd
• Title of publication: Molecular Engineering of 3-Arylated Tetrazo[1,2-b]indazoles: Divergent Synthesis and Structure-property Relationships
• Authors of publication: Bousfiha, Asmae; Abidi, Oumaima; Lemetayer, Louis; Sood, Navya; Tolbatov, Iogann; Barrois, Fabien; Daher, Ahmad; Cattey, Hélène; Cordier, Marie; Hissler, Muriel -; Hierso, Jean-Cyrille; Fleurat-Lessard, Paul; Bouit, Pierre-Antoine; Roger, Julien
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 11.539 ± 0.0004 Å
• b: 11.8671 ± 0.0004 Å
• c: 16.1812 ± 0.0006 Å
• α: 90°
• β: 108.702 ± 0.002°
• γ: 90°
• Cell volume: 2098.77 ± 0.13 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.0271
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No