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Information card for entry 7229460
Preview
Coordinates | 7229460.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Cis-5,10-bis(pentafluorophenyl)-15,20-bis(3,4-dimethoxyphenyl)porphyrin |
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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 Å3 |
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 |
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