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Information card for entry 7219832
Preview
Coordinates | 7219832.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H17 B F2 I2 N2 O2 |
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Calculated formula | C20 H17 B F2 I2 N2 O2 |
SMILES | Ic1c(C)n2c(C(c3ccc(C(=O)O)cc3)=c3c(C)c(I)c(C)[n]3[B]2(F)F)c1C |
Title of publication | The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs. |
Authors of publication | Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 15 |
Pages of publication | 9716 - 9729 |
a | 7.747 ± 0.0019 Å |
b | 10.414 ± 0.003 Å |
c | 14.007 ± 0.003 Å |
α | 91.746 ± 0.004° |
β | 105.965 ± 0.004° |
γ | 91.149 ± 0.005° |
Cell volume | 1085.5 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0613 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1495 |
Weighted residual factors for all reflections included in the refinement | 0.1557 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7219832.html
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Users of the data should acknowledge the original authors of the
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