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Information card for entry 7246017
Preview
| Coordinates | 7246017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-4 |
|---|---|
| Formula | C33 H20 N2 O4 S6 |
| Calculated formula | C33 H20 N2 O4 S6 |
| Title of publication | A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity |
| Authors of publication | Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 4 |
| Pages of publication | 508 - 512 |
| a | 6.9649 ± 0.0004 Å |
| b | 13.9228 ± 0.0009 Å |
| c | 21.536 ± 0.0014 Å |
| α | 106.716 ± 0.002° |
| β | 91.562 ± 0.002° |
| γ | 103.885 ± 0.002° |
| Cell volume | 1931.2 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 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 | 0.1116 |
| Residual factor for significantly intense reflections | 0.0777 |
| Weighted residual factors for significantly intense reflections | 0.2687 |
| Weighted residual factors for all reflections included in the refinement | 0.292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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