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Information card for entry 7201066
Preview
| Coordinates | 7201066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | FeC60C6H4nBu5Cp |
|---|---|
| Formula | C115 H70 Fe |
| Calculated formula | C115 H70 Fe |
| SMILES | [Fe]12345678([c]9%10[c]%111[c]12[c]23[c]49C3(c4c9C2(c2c%12C1(c1c%13C%11(c%11c%14C%10(c%10c3c3c4c4c%15c9c2c2c9c%12c1c1c%12c%13c%11c%11c%13c%14c%10c%10c3c3c4c4c%15c2c2c9c1c1c%12c%11c9c%13c%10c3c3c9c1c2c43)c1ccc(cc1)CCCC)c1ccc(cc1)CCCC)c1ccc(cc1)CCCC)c1ccc(cc1)CCCC)c1ccc(cc1)CCCC)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Penta(organo)[60]fullerenes as acceptors for organic photovoltaic cells |
| Authors of publication | Niinomi, Takaaki; Matsuo, Yutaka; Hashiguchi, Masahiko; Sato, Yoshiharu; Nakamura, Eiichi |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2009 |
| Journal volume | 19 |
| Journal issue | 32 |
| Pages of publication | 5804 |
| a | 13.199 ± 0.003 Å |
| b | 13.809 ± 0.0019 Å |
| c | 20.867 ± 0.004 Å |
| α | 93.792 ± 0.01° |
| β | 99.24 ± 0.009° |
| γ | 103.551 ± 0.011° |
| Cell volume | 3628.1 ± 1.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1156 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.2025 |
| Weighted residual factors for all reflections included in the refinement | 0.2359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180341 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/10. |
7201066.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201066.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201066.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201066.cif |
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