Information card for entry 7127112

Structure parameters

• Formula: C36 H26 N4 O2
• Calculated formula: C34 H18 N4
• Title of publication: Kinetic selection of Pd₄L₂ metallocyclic and Pd₆L₃ trigonal prismatic assemblies.
• Authors of publication: O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 79
• Pages of publication: 11799 - 11802
• a: 3.7895 ± 0.0002 Å
• b: 10.0133 ± 0.0005 Å
• c: 18.8245 ± 0.0009 Å
• α: 84.216 ± 0.004°
• β: 84.817 ± 0.004°
• γ: 79.331 ± 0.004°
• Cell volume: 696.5 ± 0.06 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No