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Information card for entry 7248383
Preview
| Coordinates | 7248383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H15 N9 O3 |
|---|---|
| Calculated formula | C33 H15 N9 O3 |
| Title of publication | Self-assembled molecular network with waterwheel-like architecture: experimental and theoretical evaluation toward electron transport capabilities for optoelectronic devices. |
| Authors of publication | Kumar, Krishan; Karmakar, Anirban; Thakur, Diksha; Sharma, Dipanshu; Chen, Feng-Rong; Verma, Varsha; Nagar, Mangey Ram; Jou, Jwo-Huei; Banik, Subrata; Ghosh, Subrata |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 15 |
| Pages of publication | 11922 - 11932 |
| a | 23.8757 ± 0.0006 Å |
| b | 23.8757 ± 0.0006 Å |
| c | 17.6972 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8736.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1993 |
| Weighted residual factors for all reflections included in the refinement | 0.2149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291700 (current) | 2024-05-05 | cif/ Updating files of 7248383 Original log message: Adding full bibliography for 7248383.cif. |
7248383.cif |
| 291078 | 2024-04-05 | cif/ Adding structures of 7248383 via cif-deposit CGI script. |
7248383.cif |
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Users of the data should acknowledge the original authors of the
structural data.