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Information card for entry 7701353
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Coordinates | 7701353.cif |
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Original paper (by DOI) | HTML |
Formula | C68 H72 Mn N20 O6 |
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Calculated formula | C68 H72 Mn N20 O6 |
Title of publication | Unusual donor-acceptor system MnIIPc-TCNQ/F4-TCNQ and the properties of the mixed single crystals of the metal phthalocyanines with organic acceptor molecules |
Authors of publication | Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Nikitina, Kristina; Alfonsov, Vladimir; Vandyukov, Alexander; Khrizanforov, Mikhail; Budnikova, Yulia H.; Sinyashin, Oleg Geroldovich; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin |
Journal of publication | Dalton Transactions |
Year of publication | 2019 |
a | 8.761 ± 0.0008 Å |
b | 11.1909 ± 0.001 Å |
c | 17.2255 ± 0.0015 Å |
α | 71.657 ± 0.006° |
β | 76.151 ± 0.005° |
γ | 87.937 ± 0.006° |
Cell volume | 1555 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.105 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.1444 |
Weighted residual factors for all reflections included in the refinement | 0.1651 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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