Information card for entry 7130666

Structure parameters

• Formula: C65 H53 B Cl9 F2 N5 Ni O2 S
• Calculated formula: C65 H53 B Cl9 F2 N5 Ni O2 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: 12.962 ± 0.009 Å
• b: 17.107 ± 0.012 Å
• c: 27.519 ± 0.015 Å
• α: 90°
• β: 102.088 ± 0.018°
• γ: 90°
• Cell volume: 5967 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.3905
• Weighted residual factors for all reflections included in the refinement: 0.3949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.997
• Diffraction radiation wavelength: 0.4127 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No