Information card for entry 7132836

Structure parameters

• Formula: C45 H29 B Cl3 F4 N3 Pd S
• Calculated formula: C45 H29 B Cl3 F4 N3 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: 9.276 ± 0.008 Å
• b: 14.42 ± 0.02 Å
• c: 15.664 ± 0.013 Å
• α: 112.75 ± 0.04°
• β: 91.73 ± 0.03°
• γ: 91.28 ± 0.03°
• Cell volume: 1930 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.4144 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No