Information card for entry 7156811

Structure parameters

• Common name: dyad
• Formula: C56 H43 Fe N3
• Calculated formula: C56 H43 Fe N3
• Title of publication: Covalently linked meso-tetraaryl triphyrin(2.1.1)-ferrocene(s) conjugates: synthesis and properties.
• Authors of publication: Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 5066 - 5074
• a: 10.3859 ± 0.001 Å
• b: 17.6141 ± 0.001 Å
• c: 22.8451 ± 0.0019 Å
• α: 90°
• β: 94.387 ± 0.008°
• γ: 90°
• Cell volume: 4167 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.4362
• Residual factor for significantly intense reflections: 0.1807
• Weighted residual factors for significantly intense reflections: 0.3922
• Weighted residual factors for all reflections included in the refinement: 0.5288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No