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Information card for entry 7060762
Preview
Coordinates | 7060762.cif |
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Original paper (by DOI) | HTML |
Formula | C44 H48 K N6 O8 |
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Calculated formula | C44 H48 K N6 O8 |
Title of publication | Structure and properties of radical anion and dianion salts of organic dye trans-perinone and its mixed salt with gallium(iii) phthalocyanine |
Authors of publication | Faraonov, Maxim A.; Romanenko, Nikita R.; Mikhailenko, Maxim V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Konarev, Dmitri V. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 30 |
Pages of publication | 13599 - 13607 |
a | 11.4441 ± 0.0002 Å |
b | 12.0794 ± 0.0003 Å |
c | 14.9188 ± 0.0003 Å |
α | 80.24 ± 0.002° |
β | 82.803 ± 0.002° |
γ | 85.084 ± 0.002° |
Cell volume | 2012.09 ± 0.07 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0546 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.0991 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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