Information card for entry 7229460

Structure parameters

• Chemical name: Cis-5,10-bis(pentafluorophenyl)-15,20-bis(3,4-dimethoxyphenyl)porphyrin
• Formula: C50 H30 Cl6 F10 N4 O4
• Calculated formula: C50 H30 Cl6 F10 N4 O4
• Title of publication: Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins
• Authors of publication: Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 80
• Pages of publication: 50610
• a: 12.0821 ± 0.0002 Å
• b: 17.9808 ± 0.0002 Å
• c: 22.7546 ± 0.0003 Å
• α: 90°
• β: 96.032 ± 0.001°
• γ: 90°
• Cell volume: 4915.97 ± 0.12 ų
• Cell temperature: 199.97 ± 0.14 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No