Information card for entry 2021565

Structure parameters

• Chemical name: Tris[μ-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]-<i>triangulo</i>-tris[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')palladium(II)] hexakis(hexafluoridophosphate) acetonitrile heptasolvate
• Formula: C80 H75 F36 N25 P6 Pd3
• Calculated formula: C80 H75 F36 N25 P6 Pd3
• Title of publication: A triangular palladium(II) supramolecular coordination complex based on 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene and (2,2'-bipyridyl)palladium(II) nitrate: synthesis and crystal structure
• Authors of publication: Daran, Jean-Claude; Gimeno, Nicolas; Gouygou, Maryse; Volkman, Jérôme
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• a: 17.8173 ± 0.0004 Å
• b: 18.0361 ± 0.0004 Å
• c: 18.0674 ± 0.0004 Å
• α: 105.211 ± 0.002°
• β: 93.579 ± 0.002°
• γ: 100.586 ± 0.002°
• Cell volume: 5469.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes