Information card for entry 7132838

Structure parameters

• Formula: C46 H32 Cl4 F6 N3 P Pd S
• Calculated formula: C44 H28 F6 N3 P 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: 13.77 ± 0.0011 Å
• b: 16.0819 ± 0.0018 Å
• c: 19.035 ± 0.002 Å
• α: 90°
• β: 90.479 ± 0.006°
• γ: 90°
• Cell volume: 4215.1 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.80977 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No