Information card for entry 7135154

Structure parameters

• Formula: C76 H64 N12 O8 Zn2
• Calculated formula: C76 H64 N12 O8 Zn2
• Title of publication: Mechanically interlocked porphyrinoids: self-assembly of metal-stabilised catenaphyrins.
• Authors of publication: Sarwa, Aleksandra; Matviyishyn, Maksym; Perdek, Jędrzej P; Trzaskowski, Bartosz; Kulesza, Dagmara; Zych, Eugeniusz; Szyszko, Bartosz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 1
• Pages of publication: 148 - 151
• a: 23.123 ± 0.004 Å
• b: 23.123 ± 0.004 Å
• c: 16.184 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7494 ± 2 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No