Information card for entry 7130663

Structure parameters

• Formula: C56.28 H39.56 B Cl3.56 F2 N5 Ni O2 S
• Calculated formula: C56.258 H39.516 B Cl3.516 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: 13.066 ± 0.003 Å
• b: 13.295 ± 0.003 Å
• c: 15.987 ± 0.004 Å
• α: 113.935 ± 0.009°
• β: 91.484 ± 0.008°
• γ: 92.34 ± 0.008°
• Cell volume: 2533.5 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2626
• Weighted residual factors for all reflections included in the refinement: 0.2881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No