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Information card for entry 4033461
Preview
Coordinates | 4033461.cif |
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Original paper (by DOI) | HTML |
Formula | C64 H66 Cl2 K N10 O6 |
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Calculated formula | C64 H66 Cl2 K N10 O6 |
Title of publication | Solid State Structure, and Optical and Magnetic Properties, of Free Base Tetra(4-pyridyl)porphyrin {H<sub>2</sub>T(4-Py)P}<sup>•-</sup> Radical Anions. |
Authors of publication | Konarev, Dmitri V.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Yudanova, Evgeniya I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 4 |
Pages of publication | 1861 - 1866 |
a | 13.2276 ± 0.0005 Å |
b | 13.663 ± 0.0005 Å |
c | 19.1637 ± 0.0007 Å |
α | 104.17 ± 0.003° |
β | 98.467 ± 0.003° |
γ | 113.339 ± 0.004° |
Cell volume | 2965 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.095 |
Residual factor for significantly intense reflections | 0.0619 |
Weighted residual factors for significantly intense reflections | 0.1366 |
Weighted residual factors for all reflections included in the refinement | 0.1526 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
227547 (current) | 2019-11-12 | cif/ Updating files of 4033461 Original log message: Adding full bibliography for 4033461.cif. |
4033461.cif |
205925 | 2018-01-31 | cif/ Adding structures of 4033461 via cif-deposit CGI script. |
4033461.cif |
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Users of the data should acknowledge the original authors of the
structural data.