Information card for entry 7716258

Structure parameters

• Formula: C25.37 H24.74 Cl3.74 F Ir N5
• Calculated formula: C25.37 H24.74 Cl3.74 F Ir N5
• Title of publication: Molecular engineering of 3-arylated tetrazo[1,2-<i>b</i>]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 (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 10737 - 10743
• a: 33.7718 ± 0.001 Å
• b: 8.4029 ± 0.0002 Å
• c: 22.5382 ± 0.0007 Å
• α: 90°
• β: 124.235 ± 0.002°
• γ: 90°
• Cell volume: 5287.7 ± 0.3 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• 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: Yes
• Has Fobs: No