Information card for entry 1572634

Structure parameters

• Formula: C384 H348 N30 Zn6
• Calculated formula: C384 H348 N30 Zn6
• Title of publication: Polymorphism and flexibility of six-porphyrin nanorings in the solid state
• Authors of publication: Stawski, Wojciech; Anderson, Harry Laurence
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 49.745 ± 0.00017 Å
• b: 49.745 ± 0.00017 Å
• c: 55.2247 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 118348 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.1759
• Residual factor for significantly intense reflections: 0.1474
• Weighted residual factors for significantly intense reflections: 0.4219
• Weighted residual factors for all reflections included in the refinement: 0.4794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No