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Information card for entry 7059503
Preview
| Coordinates | 7059503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H40 B20 Fe2 S |
|---|---|
| Calculated formula | C28 H40 B20 Fe2 S |
| SMILES | [Fe]12345678([c]9([cH]2[cH]4[cH]3[cH]19)[C]1234[C]9%10%11(c%12sc(cc%12)[C]%12%13%14%15[C]%16%17%18([c]%19%20[cH]%21[Fe]%22%23%24%25%26%27%19([cH]%20[cH]%23[cH]%21%22)[cH]%19[cH]%24[cH]%26[cH]%27[cH]%25%19)[BH]%19%20%12[BH]%12%21%18[BH]%18%22%16[BH]%16%13%17[BH]%13%17%14[BH]%14%15%19[BH]%15%19%17[BH]%18%16%13[BH]%21%22%19[BH]%20%12%14%15)[BH]%12%131[BH]1%149[BH]9%15%11[BH]%112%10[BH]2%103[BH]34%12[BH]4%131[BH]1%149[BH]%15%112[BH]%10341)[cH]1[cH]7[cH]6[cH]5[cH]81 |
| Title of publication | Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties |
| Authors of publication | Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 18 |
| Pages of publication | 7569 - 7576 |
| a | 10.6389 ± 0.0016 Å |
| b | 25.606 ± 0.004 Å |
| c | 13.673 ± 0.002 Å |
| α | 90° |
| β | 95.675 ± 0.003° |
| γ | 90° |
| Cell volume | 3706.5 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0581 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257848 (current) | 2020-10-06 | cif/ Updating files of 7059501, 7059502, 7059503, 7059504 Original log message: Adding full bibliography for 7059501--7059504.cif. |
7059503.cif |
| 252879 | 2020-06-05 | cif/ Updating files of 7059501, 7059502, 7059503, 7059504 Original log message: Adding full bibliography for 7059501--7059504.cif. |
7059503.cif |
| 250877 | 2020-04-17 | cif/ Adding structures of 7059501, 7059502, 7059503, 7059504 via cif-deposit CGI script. |
7059503.cif |
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Users of the data should acknowledge the original authors of the
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