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Information card for entry 7236654
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Coordinates | 7236654.cif |
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Original paper (by DOI) | HTML |
Common name | Mg-TIPSTEP-C6H4Hex |
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Chemical name | Mg-TIPSTEP-C6H4Hex |
Formula | C70 H84 Mg N4 Si2 |
Calculated formula | C70 H84 Mg N4 Si2 |
Title of publication | Substituent effects in magnesium tetraethynylporphyrin with two diketopyrrolopyrrole units for bulk heterojunction organic solar cells |
Authors of publication | Ogumi, Keisuke; Nakagawa, Takafumi; Okada, Hiroshi; Sakai, Ryohei; Wang, Huan; Matsuo, Yutaka |
Journal of publication | Journal of Materials Chemistry A |
Year of publication | 2017 |
Journal volume | 5 |
Journal issue | 44 |
Pages of publication | 23067 |
a | 8.4747 ± 0.0005 Å |
b | 13.7672 ± 0.0008 Å |
c | 13.9878 ± 0.0008 Å |
α | 82.573 ± 0.003° |
β | 83.187 ± 0.003° |
γ | 82.072 ± 0.003° |
Cell volume | 1594.37 ± 0.16 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.2042 |
Residual factor for significantly intense reflections | 0.1249 |
Weighted residual factors for significantly intense reflections | 0.3398 |
Weighted residual factors for all reflections included in the refinement | 0.4056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuK?a |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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