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Information card for entry 7233857
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| Coordinates | 7233857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (TTF3)(C70)2(PhCl)2 |
|---|---|
| Chemical name | (TTF3)(C70)2(PhCl)2 |
| Formula | C186 H38 Cl2 S8 |
| Calculated formula | C186 H38 Cl2 S8 |
| SMILES | C1(=C2SC(=C(S2)Sc2ccc(cc2)C)Sc2ccc(cc2)C)SC(=C(S1)Sc1ccc(cc1)C)Sc1ccc(cc1)C.c12c3c4c5c1c1c6c7c2c2c8c7c7c9c6c6c1c1c%10c%11c%12c%13c%10c%10c%14c%15c%13c%13c%16c%15c%15c%17c%18c%16c%16c%19c%18c%18c%20c(c8c8c%20c%19c%19c(c9c(c9c%12c%13c%16c%199)c6%11)c78)c6c7c(c3c26)c2c(c%15c%14c(c%10c51)c42)c%17c%187.c12c3c4c5c1c1c6c7c2c2c8c7c7c9c%10c%11c%12c(c%13c2c3c2c%13c3c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c%22c%20c%20c%23c%19c%17c%17c%19c%16c(c%15c%123)c%11c3c9c9c7c6c6c1c(c%20c1c%23c%17c(c%193)c9c61)c5%22)c4c2c%13c%21c%14%18)c8%10.c1(ccccc1)Cl.c1(ccccc1)Cl |
| Title of publication | Inclusion complexes of fullerenes with flexible tetrathiafulvalene derivatives bearing four aryls through sulfur bridges |
| Authors of publication | Jibin Sun; Xiaofeng Lu; Manabu Ishikawa; Yoshiaki Nakano; Shangxi Zhang; Jinlian Zhao,; Yongliang Shao; Zhaohui Wang; Hideki Yamochi; Xiangfeng Shao |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 8071 - 8076 |
| a | 21.5671 ± 0.0018 Å |
| b | 21.3847 ± 0.0017 Å |
| c | 45.525 ± 0.004 Å |
| α | 90° |
| β | 90.307 ± 0.001° |
| γ | 90° |
| Cell volume | 20996 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1321 |
| Residual factor for significantly intense reflections | 0.082 |
| Weighted residual factors for significantly intense reflections | 0.1739 |
| Weighted residual factors for all reflections included in the refinement | 0.1911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218303 (current) | 2019-09-16 | cif/ Adding structures of 7233857 via cif-deposit CGI script. |
7233857.cif |
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Users of the data should acknowledge the original authors of the
structural data.