Information card for entry 7132834

Structure parameters

• Formula: C20 H18 N2 O4.5 V
• Calculated formula: C20 H17.5 N2 O4.5 V
• 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: 15.3045 ± 0.0007 Å
• b: 8.8087 ± 0.0004 Å
• c: 13.3399 ± 0.0006 Å
• α: 90°
• β: 98.687 ± 0.001°
• γ: 90°
• Cell volume: 1777.76 ± 0.14 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No