Information card for entry 7130665

Structure parameters

• Formula: C56 H32 Cl4 N8 Ni S
• Calculated formula: C56 H32 Cl4 N8 Ni S
• Title of publication: Ion-pairing assemblies of heteroporphyrin-based π-electronic cation with various counteranions.
• Authors of publication: Fujita, Masaki; Haketa, Yohei; Tanaka, Hiroki; Yasuda, Nobuhiro; Maeda, Hiromitsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 71
• Pages of publication: 9870 - 9873
• a: 13.9345 ± 0.0012 Å
• b: 15.3744 ± 0.0014 Å
• c: 24.075 ± 0.002 Å
• α: 79.22 ± 0.004°
• β: 89.861 ± 0.003°
• γ: 69.239 ± 0.004°
• Cell volume: 4726.2 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1349
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No