Information card for entry 7132835

Structure parameters

• Formula: C55.66 H21.3 Cl3.31 F10 N8 Pd S
• Calculated formula: C55.653 H21.306 Cl3.306 F10 N8 Pd S
• Title of publication: Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.
• Authors of publication: Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 31
• Pages of publication: 4190 - 4193
• a: 13.3831 ± 0.0003 Å
• b: 7.1785 ± 0.0002 Å
• c: 26.0801 ± 0.0005 Å
• α: 90°
• β: 93.166 ± 0.002°
• γ: 90°
• Cell volume: 2501.71 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.812 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No