Information card for entry 7057003

Structure parameters

• Formula: C54 H36 F15 N4 O2
• Calculated formula: C54 H29 F15 N4 O2
• Title of publication: Synthesis and coordination studies of 5-(4′-carboxyphenyl)-10,15,20-tris(pentafluorophenyl)porphyrin and its pyrrolidine-fused chlorin derivative
• Authors of publication: Almeida, José; Silva, André M. N.; Rebelo, Susana L. H.; Cunha-Silva, Luís; Rangel, Maria; de Castro, Baltazar; Leite, Andreia; Silva, Ana M. G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 8169
• a: 16.7872 ± 0.0009 Å
• b: 24.9663 ± 0.0013 Å
• c: 26.3075 ± 0.0013 Å
• α: 90°
• β: 91.737 ± 0.002°
• γ: 90°
• Cell volume: 11020.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.2499
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No